 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer15_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-46301.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46306.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer15_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0196409897 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.8061653967 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.58D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.432864044616    
 DIIS: error= 3.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.432864044616     IErMin= 1 ErrMin= 3.76D-03
 ErrMax= 3.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.53D-03 MaxDP=5.53D-01              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.10D-03    CP:  1.11D+00
 E= -465.442497214974     Delta-E=       -0.009633170358 Rises=F Damp=F
 DIIS: error= 6.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.442497214974     IErMin= 2 ErrMin= 6.96D-04
 ErrMax= 6.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.96D-03
 Coeff-Com: -0.292D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.290D-01 0.103D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=8.90D-04 MaxDP=1.11D-01 DE=-9.63D-03 OVMax= 7.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.07D-04    CP:  1.13D+00  1.11D+00
 E= -465.442813900422     Delta-E=       -0.000316685448 Rises=F Damp=F
 DIIS: error= 5.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.442813900422     IErMin= 3 ErrMin= 5.60D-04
 ErrMax= 5.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-04 BMatP= 2.86D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.60D-03
 Coeff-Com: -0.446D-01 0.484D+00 0.561D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.444D-01 0.481D+00 0.563D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=9.95D-05 MaxDP=6.21D-03 DE=-3.17D-04 OVMax= 3.69D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.80D-05    CP:  1.13D+00  1.12D+00  1.03D+00
 E= -465.442967986547     Delta-E=       -0.000154086126 Rises=F Damp=F
 DIIS: error= 2.00D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.442967986547     IErMin= 4 ErrMin= 2.00D-04
 ErrMax= 2.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-05 BMatP= 2.16D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.00D-03
 Coeff-Com: -0.167D-01 0.107D+00 0.251D+00 0.658D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.107D+00 0.251D+00 0.659D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.76D-05 MaxDP=1.90D-03 DE=-1.54D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.13D-05    CP:  1.13D+00  1.12D+00  1.07D+00  1.06D+00
 E= -465.442983906231     Delta-E=       -0.000015919684 Rises=F Damp=F
 DIIS: error= 5.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.442983906231     IErMin= 5 ErrMin= 5.77D-05
 ErrMax= 5.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-06 BMatP= 1.99D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.448D-01-0.179D-01 0.247D+00 0.814D+00
 Coeff:      0.175D-02-0.448D-01-0.179D-01 0.247D+00 0.814D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.85D-05 MaxDP=8.54D-04 DE=-1.59D-05 OVMax= 5.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.31D-05    CP:  1.13D+00  1.12D+00  1.09D+00  1.10D+00  9.78D-01
 E= -465.442986315221     Delta-E=       -0.000002408990 Rises=F Damp=F
 DIIS: error= 7.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.442986315221     IErMin= 6 ErrMin= 7.21D-06
 ErrMax= 7.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-08 BMatP= 2.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.984D-03-0.148D-01-0.115D-01 0.332D-01 0.191D+00 0.801D+00
 Coeff:      0.984D-03-0.148D-01-0.115D-01 0.332D-01 0.191D+00 0.801D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.97D-06 MaxDP=3.41D-04 DE=-2.41D-06 OVMax= 1.28D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.69D-06    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.96D-01
                    CP:  1.03D+00
 E= -465.442986391856     Delta-E=       -0.000000076635 Rises=F Damp=F
 DIIS: error= 3.33D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.442986391856     IErMin= 7 ErrMin= 3.33D-06
 ErrMax= 3.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.69D-09 BMatP= 5.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-03-0.238D-03-0.943D-03-0.156D-01-0.210D-01 0.263D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.152D-03-0.238D-03-0.943D-03-0.156D-01-0.210D-01 0.263D+00
 Coeff:      0.775D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.51D-06 MaxDP=9.87D-05 DE=-7.66D-08 OVMax= 5.28D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.04D-06    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  1.01D+00
                    CP:  1.09D+00  9.95D-01
 E= -465.442986407382     Delta-E=       -0.000000015525 Rises=F Damp=F
 DIIS: error= 8.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.442986407382     IErMin= 8 ErrMin= 8.69D-07
 ErrMax= 8.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-10 BMatP= 9.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.976D-04 0.197D-02 0.167D-02-0.902D-02-0.324D-01-0.515D-01
 Coeff-Com:  0.177D+00 0.913D+00
 Coeff:     -0.976D-04 0.197D-02 0.167D-02-0.902D-02-0.324D-01-0.515D-01
 Coeff:      0.177D+00 0.913D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.49D-07 MaxDP=1.66D-05 DE=-1.55D-08 OVMax= 3.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.10D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  1.01D+00
                    CP:  1.11D+00  1.04D+00  1.16D+00
 E= -465.442986409502     Delta-E=       -0.000000002121 Rises=F Damp=F
 DIIS: error= 2.31D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.442986409502     IErMin= 9 ErrMin= 2.31D-07
 ErrMax= 2.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.49D-11 BMatP= 8.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.394D-04 0.575D-03 0.570D-03-0.156D-02-0.762D-02-0.339D-01
 Coeff-Com: -0.149D-01 0.266D+00 0.791D+00
 Coeff:     -0.394D-04 0.575D-03 0.570D-03-0.156D-02-0.762D-02-0.339D-01
 Coeff:     -0.149D-01 0.266D+00 0.791D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=8.60D-06 DE=-2.12D-09 OVMax= 6.90D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  1.01D+00
                    CP:  1.11D+00  1.05D+00  1.25D+00  1.05D+00
 E= -465.442986409662     Delta-E=       -0.000000000159 Rises=F Damp=F
 DIIS: error= 1.06D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.442986409662     IErMin=10 ErrMin= 1.06D-07
 ErrMax= 1.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-11 BMatP= 9.49D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-05-0.106D-03-0.509D-04 0.777D-03 0.246D-02-0.178D-02
 Coeff-Com: -0.311D-01-0.377D-01 0.236D+00 0.831D+00
 Coeff:      0.162D-05-0.106D-03-0.509D-04 0.777D-03 0.246D-02-0.178D-02
 Coeff:     -0.311D-01-0.377D-01 0.236D+00 0.831D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=7.83D-08 MaxDP=8.28D-06 DE=-1.59D-10 OVMax= 4.38D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.37D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  1.01D+00
                    CP:  1.11D+00  1.05D+00  1.27D+00  1.12D+00  1.07D+00
 E= -465.442986409682     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.97D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.442986409682     IErMin=11 ErrMin= 4.97D-08
 ErrMax= 4.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-12 BMatP= 1.21D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.597D-05-0.126D-03-0.984D-04 0.551D-03 0.212D-02 0.386D-02
 Coeff-Com: -0.125D-01-0.523D-01-0.283D-01 0.352D+00 0.735D+00
 Coeff:      0.597D-05-0.126D-03-0.984D-04 0.551D-03 0.212D-02 0.386D-02
 Coeff:     -0.125D-01-0.523D-01-0.283D-01 0.352D+00 0.735D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.81D-08 MaxDP=1.54D-06 DE=-2.07D-11 OVMax= 9.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.95D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  1.01D+00
                    CP:  1.11D+00  1.05D+00  1.28D+00  1.14D+00  1.19D+00
                    CP:  1.05D+00
 E= -465.442986409693     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.442986409693     IErMin=12 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-13 BMatP= 3.05D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.165D-04-0.143D-04 0.286D-04 0.194D-03 0.108D-02
 Coeff-Com:  0.776D-03-0.500D-02-0.348D-01-0.263D-02 0.131D+00 0.909D+00
 Coeff:      0.122D-05-0.165D-04-0.143D-04 0.286D-04 0.194D-03 0.108D-02
 Coeff:      0.776D-03-0.500D-02-0.348D-01-0.263D-02 0.131D+00 0.909D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=7.98D-09 MaxDP=8.00D-07 DE=-1.05D-11 OVMax= 4.86D-07

 SCF Done:  E(RwB97XD) =  -465.442986410     A.U. after   12 cycles
            NFock= 12  Conv=0.80D-08     -V/T= 2.0119
 KE= 4.599898328580D+02 PE=-2.301376860197D+03 EE= 7.641378755325D+02
 Leave Link  502 at Fri Aug 13 10:51:12 2021, MaxMem=  5368709120 cpu:            1925.8 elap:             241.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.40034758D+02

 Leave Link  801 at Fri Aug 13 10:51:13 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.33D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.60D-01 6.36D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.53D-02 7.19D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.63D-03 1.43D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.50D-04 3.12D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.21D-05 6.60D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 5.09D-07 1.24D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.66D-08 2.31D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.78D-10 4.19D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 9.72D-12 5.30D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.69D-13 5.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.163996D+03
      2 -0.641779D+01  0.118076D+03
      3  0.687208D+01 -0.310226D+01  0.100898D+03
 Isotropic polarizability for W=    0.085645      127.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.628007D+02 -0.187411D+02  0.351316D+02
      2  -0.154597D+02  0.185275D+02 -0.175960D+02
      3  -0.473410D+02  0.213597D+00 -0.175356D+02
      4  -0.219039D+01 -0.326623D+02 -0.327463D+02
      5   0.310857D+02 -0.307930D+02 -0.826486D+02
      6  -0.100741D+02 -0.393917D+01  0.257757D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.249077D+01 -0.176971D+01 -0.103613D+02
      2   0.416001D+02 -0.141518D+02 -0.333247D+02
      3   0.785943D-01  0.190189D+02  0.120100D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.195324D+01  0.136569D+02 -0.255621D+02
      2   0.404596D+01 -0.226722D+02 -0.353076D+02
      3   0.165507D+02  0.172026D+02  0.207190D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.582587D+00 -0.774475D+01  0.144425D+01
      2  -0.774475D+01  0.158232D+01  0.131334D+01
      3   0.144425D+01  0.131334D+01 -0.650755D+00
 OR G Eigenvalues:    -7.8493    -0.1218     8.3201  Iso=    -0.1163
 Eigenvectors:
   (1)   0.727716   0.634000  -0.261673
   (2)   0.200644   0.168045   0.965144
   (3)  -0.655874   0.754854   0.004919
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1163 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -36.24 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.53D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.16D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.10D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 6.96D-02 5.54D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.54D-03 1.16D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 3.93D-05 1.06D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 7.32D-07 1.08D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 8.66D-09 1.02D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 9.68D-11 9.63D-07.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 8.03D-13 8.32D-08.
     13 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 6.01D-15 7.48D-09.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 1.95D-15 3.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163996D+03 -0.641779D+01  0.687208D+01
      2  -0.641779D+01  0.118076D+03 -0.310226D+01
      3   0.687208D+01 -0.310226D+01  0.100898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249077D+01 -0.176971D+01 -0.103613D+02
      2   0.416001D+02 -0.141518D+02 -0.333247D+02
      3   0.785943D-01  0.190189D+02  0.120100D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.628007D+02 -0.187411D+02  0.351316D+02
      2  -0.154597D+02  0.185275D+02 -0.175960D+02
      3  -0.473410D+02  0.213597D+00 -0.175356D+02
      4  -0.219039D+01 -0.326623D+02 -0.327463D+02
      5   0.310857D+02 -0.307930D+02 -0.826486D+02
      6  -0.100741D+02 -0.393917D+01  0.257757D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.305471D+01 -0.180559D+01 -0.363804D+01 -0.121454D+01 -0.368773D+01
      2  -0.180559D+01 -0.364706D+01  0.212816D+01 -0.368773D+01 -0.176690D+01
      3  -0.363804D+01  0.212816D+01  0.330691D+01  0.205601D+01 -0.176203D+01
                 6             7             8             9            10 
      1   0.205601D+01 -0.325486D+01  0.251135D+01  0.302917D+01 -0.201978D+02
      2  -0.176203D+01  0.251135D+01 -0.123418D+01  0.871492D+00  0.417156D+01
      3   0.134930D+01  0.302917D+01  0.871492D+00  0.986722D+00  0.284786D+01
                11            12            13            14            15 
      1   0.417156D+01  0.284786D+01  0.111262D+02  0.157533D+01 -0.232298D+01
      2   0.259517D+01 -0.208661D+01  0.157533D+01  0.431476D+01  0.135894D+01
      3  -0.208661D+01 -0.310374D+01 -0.232298D+01  0.135894D+01 -0.786993D+00
                16            17            18            19            20 
      1   0.124618D+02 -0.360179D+01 -0.487761D+01  0.339799D+02 -0.459275D+01
      2  -0.360179D+01  0.228509D+01 -0.294868D+00 -0.459275D+01  0.256990D+01
      3  -0.487761D+01 -0.294868D+00 -0.264699D+01  0.762453D+00  0.815766D+00
                21            22            23            24            25 
      1   0.762453D+00 -0.949910D+01  0.321948D+01  0.184759D+01 -0.415306D+01
      2   0.815766D+00  0.321948D+01  0.199282D+01 -0.178038D+01  0.217549D+01
      3   0.257881D+01  0.184759D+01 -0.178038D+01 -0.188459D+01  0.621271D+01
                26            27            28            29            30 
      1   0.217549D+01  0.621271D+01 -0.510665D+02  0.558270D+01 -0.468288D+01
      2  -0.243013D+01 -0.169479D+01  0.558270D+01 -0.248157D+01 -0.477424D-01
      3  -0.169479D+01  0.505088D+01 -0.468288D+01 -0.477424D-01 -0.231688D+01
                31            32            33            34            35 
      1   0.147194D+02 -0.482977D+01  0.101460D+01 -0.132497D+02  0.135115D+00
      2  -0.482977D+01 -0.186437D+01  0.111468D+01  0.135115D+00  0.113875D+01
      3   0.101460D+01  0.111468D+01  0.134099D+01 -0.704637D+01  0.130180D+01
                36            37            38            39            40 
      1  -0.704637D+01  0.505158D+02 -0.737420D+01  0.677919D+01 -0.112202D+02
      2   0.130180D+01 -0.737420D+01  0.135257D+01 -0.523081D+00  0.383607D+01
      3  -0.486422D+01  0.677919D+01 -0.523081D+00  0.242672D+01 -0.580039D+00
                41            42            43            44            45 
      1   0.383607D+01 -0.580039D+00  0.143597D+02 -0.100866D+01  0.592071D+01
      2   0.269922D+01 -0.149955D+01 -0.100866D+01 -0.181415D+01 -0.145802D+01
      3  -0.149955D+01 -0.160931D+01  0.592071D+01 -0.145802D+01  0.272587D+01
                46            47            48            49            50 
      1  -0.371855D+02  0.729133D+01 -0.712821D+01  0.835083D+01 -0.374844D+01
      2   0.729133D+01 -0.206766D+01  0.187910D+01 -0.374844D+01 -0.141568D+01
      3  -0.712821D+01  0.187910D+01 -0.120445D+01  0.270737D+01 -0.103833D+00
                51            52            53            54            55 
      1   0.270737D+01 -0.993523D+01  0.270360D+01 -0.203382D+01  0.306697D+02
      2  -0.103833D+00  0.270360D+01  0.709643D-01  0.918306D+00 -0.658752D+01
      3   0.114222D+01 -0.203382D+01  0.918306D+00 -0.866561D+00  0.529314D+01
                56            57            58            59            60 
      1  -0.658752D+01  0.529314D+01 -0.211291D+02  0.706430D+01 -0.384234D+01
      2   0.331410D+01 -0.128185D+01  0.706430D+01 -0.572689D+01  0.187175D+01
      3  -0.128185D+01  0.226448D+01 -0.384234D+01  0.187175D+01 -0.203835D+01
                61            62            63            64            65 
      1   0.108278D+02 -0.191118D+01  0.588137D+01  0.549982D+01 -0.248868D+01
      2  -0.191118D+01  0.115871D+01 -0.262218D+01 -0.248868D+01 -0.314988D+01
      3   0.588137D+01 -0.262218D+01  0.363048D+01 -0.213529D+01  0.260686D+01
                66            67            68            69            70 
      1  -0.213529D+01 -0.217523D+01 -0.247697D+01  0.275014D+01 -0.388007D+01
      2   0.260686D+01 -0.247697D+01 -0.319131D+01 -0.481183D+00  0.283804D+01
      3   0.276634D+01  0.275014D+01 -0.481183D+00  0.157356D+01  0.367069D+01
                71            72            73            74            75 
      1   0.283804D+01  0.367069D+01  0.249285D+01  0.182194D+01  0.145035D+01
      2  -0.891777D+00  0.768617D+00  0.182194D+01 -0.230890D+01 -0.787145D+00
      3   0.768617D+00  0.425190D+01  0.145035D+01 -0.787145D+00  0.284025D+01
                76            77            78            79            80 
      1   0.297032D+01 -0.294675D+01 -0.171313D+01 -0.486414D+00 -0.125929D+01
      2  -0.294675D+01 -0.546659D+01 -0.345431D+00 -0.125929D+01 -0.961052D+00
      3  -0.171313D+01 -0.345431D+00  0.138439D+01  0.466914D+01  0.191659D+01
                81            82            83            84            85 
      1   0.466914D+01  0.275314D+01 -0.243341D+01 -0.201995D+01 -0.303217D+01
      2   0.191659D+01 -0.243341D+01 -0.167683D+01  0.171453D+01 -0.216199D+01
      3  -0.113673D+01 -0.201995D+01  0.171453D+01 -0.849148D+00  0.142627D+01
                86            87            88            89            90 
      1  -0.216199D+01  0.142627D+01 -0.187209D+01  0.199813D+01 -0.116318D+01
      2   0.859354D+00  0.269048D+01  0.199813D+01  0.378952D+01  0.242933D+01
      3   0.269048D+01  0.209220D+01 -0.116318D+01  0.242933D+01 -0.502310D+00
                91            92            93            94            95 
      1  -0.829056D+01 -0.191899D+01 -0.203277D+01  0.479668D+00  0.342087D+01
      2  -0.191899D+01  0.316477D+01 -0.450410D-02  0.342087D+01  0.849035D+00
      3  -0.203277D+01 -0.450410D-02  0.164849D+01  0.316523D-01 -0.112257D+01
                96            97            98            99           100 
      1   0.316523D-01 -0.309159D+01 -0.133497D+00  0.578640D+00 -0.640022D+01
      2  -0.112257D+01 -0.133497D+00 -0.114005D+01 -0.257926D+01 -0.154938D+01
      3  -0.181544D+01  0.578640D+00 -0.257926D+01  0.371848D+01 -0.264860D+01
               101           102           103           104           105 
      1  -0.154938D+01 -0.264860D+01 -0.415963D+00 -0.847582D+00 -0.139222D+00
      2  -0.126191D+01 -0.458013D+00 -0.847582D+00 -0.167614D+00 -0.563302D+00
      3  -0.458013D+00 -0.219305D+01 -0.139222D+00 -0.563302D+00 -0.373218D+00
               106           107           108           109           110 
      1  -0.471256D+01 -0.738742D+00 -0.301005D+01 -0.300503D+01 -0.152359D+01
      2  -0.738742D+00 -0.138241D+01 -0.999276D+00 -0.152359D+01 -0.772978D+00
      3  -0.301005D+01 -0.999276D+00 -0.272201D+01  0.181223D+01  0.801545D+00
               111           112           113           114           115 
      1   0.181223D+01 -0.903795D+00 -0.123042D+01  0.965880D+00  0.435437D+01
      2   0.801545D+00 -0.123042D+01 -0.126417D+01  0.130781D+01  0.185356D+01
      3  -0.198012D+01  0.965880D+00  0.130781D+01 -0.126362D+01 -0.386893D+01
               116           117           118           119           120 
      1   0.185356D+01 -0.386893D+01 -0.501416D+01  0.102462D+01 -0.181284D+01
      2   0.230885D+01 -0.197406D+01  0.102462D+01 -0.581751D+00  0.422978D-01
      3  -0.197406D+01  0.504776D+01 -0.181284D+01  0.422978D-01 -0.172038D+01
               121           122           123           124           125 
      1   0.440243D+01 -0.117423D+01  0.139428D+00 -0.352855D+01 -0.692577D-01
      2  -0.117423D+01  0.218302D+00 -0.982671D+00 -0.692577D-01 -0.118106D+01
      3   0.139428D+00 -0.982671D+00  0.106624D+01 -0.325614D+01  0.948233D+00
               126           127           128           129           130 
      1  -0.325614D+01  0.220342D+01 -0.255489D+00  0.888752D+00 -0.344223D+00
      2   0.948233D+00 -0.255489D+00  0.153379D+01 -0.793274D+00  0.858101D+00
      3  -0.837258D+01  0.888752D+00 -0.793274D+00  0.127203D+01 -0.520109D+00
               131           132           133           134           135 
      1   0.858101D+00 -0.520109D+00  0.172797D+01 -0.679430D+00  0.844930D+00
      2  -0.224953D+01  0.841920D+00 -0.679430D+00  0.190325D+01 -0.168057D+01
      3   0.841920D+00 -0.117853D+01  0.844930D+00 -0.168057D+01  0.287438D+01
               136           137           138           139           140 
      1  -0.733218D+00 -0.928841D+00 -0.448455D+00 -0.373596D+00 -0.381876D+00
      2  -0.928841D+00 -0.790044D-01 -0.197058D+00 -0.381876D+00 -0.692254D+01
      3  -0.448455D+00 -0.197058D+00  0.366415D-01 -0.254438D+00 -0.326117D+01
               141           142           143           144           145 
      1  -0.254438D+00 -0.101812D+01 -0.484145D+00  0.794697D-01  0.242338D+01
      2  -0.326117D+01 -0.484145D+00 -0.463233D+01 -0.332364D+01  0.182195D+01
      3  -0.237213D+01  0.794697D-01 -0.332364D+01 -0.315474D+01  0.541227D+00
               146           147           148           149           150 
      1   0.182195D+01  0.541227D+00  0.183346D+01  0.227758D+01  0.207150D+00
      2   0.276298D+01  0.534607D+00  0.227758D+01  0.534769D+01  0.136615D+01
      3   0.534607D+00  0.792906D+00  0.207150D+00  0.136615D+01  0.147007D+01
               151           152           153           154           155 
      1  -0.312061D+00  0.155251D-01  0.291647D+00  0.196154D+01 -0.834224D+00
      2   0.155251D-01  0.101359D+00  0.578857D+00 -0.834224D+00  0.150068D+01
      3   0.291647D+00  0.578857D+00  0.199340D+00  0.119406D+01 -0.673484D+00
               156           157           158           159           160 
      1   0.119406D+01 -0.134696D+01  0.132187D+01 -0.817709D+00  0.945718D+00
      2  -0.673484D+00  0.132187D+01 -0.232198D+01  0.121850D+01 -0.674983D+00
      3   0.154762D+01 -0.817709D+00  0.121850D+01 -0.254241D+01  0.815865D+00
               161           162           163           164           165 
      1  -0.674983D+00  0.815865D+00 -0.527666D+01  0.155223D+01  0.356074D+01
      2   0.112147D+01 -0.121607D+01  0.155223D+01 -0.123949D+01 -0.145034D+01
      3  -0.121607D+01  0.244850D+01  0.356074D+01 -0.145034D+01 -0.425202D+01
               166           167           168           169           170 
      1   0.734341D+00 -0.688995D+00 -0.815714D+00  0.237444D+01 -0.100253D+01
      2  -0.688995D+00  0.117401D+01  0.123633D+01 -0.100253D+01  0.105847D+01
      3  -0.815714D+00  0.123633D+01  0.825858D+00 -0.304962D+01  0.119461D+01
               171           172           173           174           175 
      1  -0.304962D+01 -0.233380D+01  0.278408D+00 -0.161510D+01 -0.872159D+00
      2   0.119461D+01  0.278408D+00 -0.103804D+00 -0.163974D+00  0.885016D-01
      3   0.433515D+01 -0.161510D+01 -0.163974D+00 -0.215074D+01 -0.761773D+00
               176           177           178           179           180 
      1   0.885016D-01 -0.761773D+00 -0.243947D+01  0.183314D+00 -0.315756D+01
      2  -0.456901D+00 -0.722759D+00  0.183314D+00 -0.142113D+01  0.168698D+00
      3  -0.722759D+00 -0.134928D+01 -0.315756D+01  0.168698D+00 -0.681594D+01
               181           182           183           184           185 
      1   0.135981D+01  0.127683D+01  0.513292D-01  0.160795D+01  0.953917D+00
      2   0.127683D+01  0.363548D+01 -0.832468D+00  0.953917D+00  0.755015D+01
      3   0.513292D-01 -0.832468D+00  0.655747D+00 -0.281497D+00 -0.111621D+01
               186           187           188           189           190 
      1  -0.281497D+00  0.339947D+00 -0.471038D+00 -0.785152D-01 -0.771754D+01
      2  -0.111621D+01 -0.471038D+00 -0.563832D+00  0.986860D+00  0.326113D+01
      3   0.106683D+01 -0.785152D-01  0.986860D+00 -0.808996D+00  0.192422D+01
               191           192           193           194           195 
      1   0.326113D+01  0.192422D+01  0.167441D+01 -0.168568D+01 -0.796412D+00
      2  -0.201007D+01 -0.850661D+00 -0.168568D+01  0.202227D+01  0.635035D+00
      3  -0.850661D+00 -0.185239D+01 -0.796412D+00  0.635035D+00  0.336276D+00
               196           197           198           199           200 
      1   0.452149D+01 -0.206391D+01 -0.215445D+01 -0.395114D+00  0.136799D+01
      2  -0.206391D+01  0.193800D+01  0.793259D+00  0.136799D+01  0.813002D+00
      3  -0.215445D+01  0.793259D+00  0.155526D+01 -0.658165D+00 -0.100158D+00
               201           202           203           204           205 
      1  -0.658165D+00  0.190677D+01  0.932655D+00  0.654598D-01 -0.193270D+01
      2  -0.100158D+00  0.932655D+00  0.577681D+01 -0.171842D+01  0.419012D+00
      3  -0.788128D-01  0.654598D-01 -0.171842D+01  0.130297D+01  0.851317D+00
               206           207           208           209           210 
      1   0.419012D+00  0.851317D+00  0.244379D+00 -0.106077D+01  0.441496D+00
      2  -0.140904D+01  0.838165D+00 -0.106077D+01 -0.201605D+00 -0.417180D-01
      3   0.838165D+00 -0.442577D+00  0.441496D+00 -0.417180D-01  0.131303D+00
               211           212           213           214           215 
      1  -0.216360D+01 -0.306983D+00 -0.751152D-01  0.704324D+00 -0.136740D+00
      2  -0.306983D+00 -0.659077D+01  0.110015D+01 -0.136740D+00  0.150063D+01
      3  -0.751152D-01  0.110015D+01 -0.107525D+01 -0.310394D+00 -0.747739D+00
               216           217           218           219           220 
      1  -0.310394D+00  0.110565D+01  0.263461D+00 -0.526468D+00  0.113263D+01
      2  -0.747739D+00  0.263461D+00 -0.932220D+00  0.169432D+00  0.714958D-01
      3   0.366449D+00 -0.526468D+00  0.169432D+00 -0.624195D+00 -0.164766D-01
               221           222           223           224           225 
      1   0.714958D-01 -0.164766D-01 -0.192392D+01 -0.937685D+00  0.585063D+00
      2   0.143106D+01 -0.110431D+01 -0.937685D+00 -0.238713D+01  0.234916D+01
      3  -0.110431D+01  0.136855D+01  0.585063D+00  0.234916D+01 -0.660173D+01
               226           227           228           229           230 
      1   0.983876D+01  0.286124D+01  0.743073D+00  0.142566D+01  0.111666D+01
      2   0.286124D+01  0.189735D+01  0.203509D+00  0.111666D+01  0.766470D+00
      3   0.743073D+00  0.203509D+00  0.123747D+01  0.134697D+00  0.309345D+00
               231           232           233           234           235 
      1   0.134697D+00  0.156079D+01  0.482822D+00  0.111029D+01 -0.486717D+00
      2   0.309345D+00  0.482822D+00  0.593325D+00  0.620434D+00  0.778034D+00
      3   0.325442D+00  0.111029D+01  0.620434D+00  0.210107D+00  0.105665D+01
               236           237           238           239           240 
      1   0.778034D+00  0.105665D+01  0.232654D+01 -0.569412D+00 -0.409292D+00
      2  -0.262507D+01 -0.603729D+00 -0.569412D+00  0.440329D+01  0.151272D+01
      3  -0.603729D+00 -0.117980D+01 -0.409292D+00  0.151272D+01  0.164424D+01
               241           242           243 
      1   0.161209D+01 -0.143093D+00 -0.534378D+00
      2  -0.143093D+00  0.247991D+01  0.190608D+01
      3  -0.534378D+00  0.190608D+01  0.153411D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.995568D+00 -0.104539D+02  0.175587D+01 -0.107777D+02 -0.267840D+01
      2   0.688838D+01  0.530178D+00  0.460630D+01 -0.530958D+00  0.112233D+02
      3  -0.207524D+01 -0.104141D+02 -0.700810D+00 -0.614676D+01 -0.720108D+01
                 6             7             8             9            10 
      1  -0.797488D+01  0.192556D+01 -0.191557D+01  0.284409D+01 -0.787589D+01
      2  -0.656268D+01 -0.153928D+01 -0.557782D+01 -0.705806D+01 -0.242283D+02
      3  -0.143436D+00  0.131712D+01 -0.564637D-01  0.409509D+01  0.404363D+01
                11            12            13            14            15 
      1   0.552442D+01  0.215743D+01  0.579792D+01 -0.828166D+00 -0.374433D+01
      2   0.779205D+01  0.113825D+02  0.148632D+02 -0.653559D+01  0.203443D+01
      3   0.560506D+01 -0.176233D+01  0.126772D+02  0.138452D+02  0.172388D+01
                16            17            18            19            20 
      1   0.370487D+01  0.563332D+01  0.819059D+00  0.103684D+02 -0.404711D+01
      2   0.135141D+02  0.997439D+00  0.334202D+01  0.257841D+02 -0.571327D+01
      3  -0.305039D+01  0.577783D+00 -0.352357D+01 -0.363653D+01 -0.459871D+01
                21            22            23            24            25 
      1  -0.244542D+01 -0.532475D+01 -0.494545D+01 -0.617542D+00 -0.638691D+01
      2   0.119682D+01 -0.122876D+02  0.525020D+01  0.388968D+01 -0.180029D+02
      3  -0.812885D+00  0.838016D+01 -0.145654D+01 -0.680256D+00 -0.207787D+01
                26            27            28            29            30 
      1   0.465145D+01  0.275437D+01 -0.107078D+02  0.170788D+01  0.126861D+01
      2   0.363087D+01  0.266362D+01 -0.298528D+02  0.295646D+01 -0.722765D+01
      3  -0.696726D+00 -0.143185D+01  0.462577D+01  0.237949D+01  0.217529D+01
                31            32            33            34            35 
      1   0.256412D+01  0.297181D+01 -0.179616D+01  0.451413D+01  0.294723D+01
      2   0.861092D+01 -0.321728D+01  0.138341D+01 -0.409539D+02  0.343560D+01
      3   0.180833D+02 -0.146291D+01  0.123309D+01  0.701289D+01  0.110460D+01
                36            37            38            39            40 
      1  -0.127510D+01  0.823244D+01 -0.149030D+01 -0.215364D+01 -0.716957D+01
      2  -0.101275D+02  0.373357D+02 -0.410416D+01  0.122675D+02 -0.667380D+01
      3   0.462896D+00  0.292523D+01 -0.657018D+01 -0.146785D+01  0.922236D+01
                41            42            43            44            45 
      1   0.542615D+00 -0.205116D+01 -0.464607D+01  0.122651D+01 -0.422139D+00
      2  -0.828706D+00  0.531056D+00  0.124889D+02 -0.963831D+00  0.704274D+01
      3  -0.117047D+02  0.456855D+01 -0.441502D+01  0.292374D+01  0.248509D+00
                46            47            48            49            50 
      1  -0.693069D+01 -0.143195D+01  0.702520D+01 -0.171043D+01  0.666676D+01
      2  -0.217417D+02  0.391808D+01 -0.173217D+02  0.300245D+01 -0.162985D+01
      3  -0.865153D+01  0.918669D+01  0.223081D+01  0.180454D+02  0.268299D+01
                51            52            53            54            55 
      1   0.432151D+01  0.332445D+01  0.140852D+02 -0.338099D+01  0.389909D+01
      2   0.346977D+01 -0.265025D+02 -0.320149D+00 -0.834162D+01  0.169486D+02
      3   0.282198D+01  0.108263D+01  0.512624D+01 -0.164027D+01  0.457219D+01
                56            57            58            59            60 
      1   0.162610D+01 -0.873704D+00 -0.151167D+01 -0.252997D+01 -0.504261D+01
      2  -0.385833D+01  0.181313D+02 -0.114887D+02  0.617095D+01 -0.117657D+02
      3  -0.178708D+02  0.414186D+00 -0.771702D+01  0.189511D+02 -0.388221D+01
                61            62            63            64            65 
      1   0.178628D+01 -0.398580D+00  0.213447D+01  0.565687D+01 -0.372482D+01
      2   0.149972D+02 -0.570097D+01  0.137826D+02  0.955161D+01 -0.101306D+02
      3  -0.128007D+00 -0.741004D+01  0.506989D+01  0.506154D+00 -0.182736D+02
                66            67            68            69            70 
      1  -0.732169D+01 -0.374568D+01  0.358936D+01 -0.392761D+01 -0.104524D+02
      2  -0.836133D+01 -0.917201D+01  0.237917D+00 -0.282195D+01 -0.159981D+02
      3   0.525158D+01 -0.788141D+01 -0.178184D+02  0.360981D+01  0.403856D+01
                71            72            73            74            75 
      1   0.203647D+01 -0.879093D+01  0.384814D+01 -0.349945D+01  0.362517D+01
      2   0.237329D+00 -0.111655D+02 -0.198300D+01  0.175492D+01 -0.869598D+01
      3   0.370603D+01  0.886403D+01  0.733634D+01 -0.160051D+02 -0.733108D+01
                76            77            78            79            80 
      1  -0.245096D+01 -0.293691D+01 -0.581212D-01  0.675487D+01  0.555716D+01
      2   0.507001D+01  0.183837D+01 -0.508451D+01 -0.215187D+02 -0.753437D+01
      3  -0.905198D+01 -0.143221D+02  0.211697D+00 -0.782646D+01  0.956427D+00
                81            82            83            84            85 
      1  -0.145884D+01 -0.368550D+01  0.630452D+01 -0.255599D+01  0.866251D+01
      2   0.480952D+01  0.401412D+01 -0.312092D+01  0.255653D+01 -0.531752D+01
      3   0.137387D+01 -0.101893D+02  0.362096D+00  0.804954D+01  0.837352D+01
                86            87            88            89            90 
      1   0.913545D+01  0.128144D+01 -0.162524D+01  0.850273D+01 -0.140025D+01
      2  -0.383408D+01 -0.126991D+01 -0.139441D+01 -0.330758D+00  0.375620D+00
      3   0.490894D+01 -0.140429D+01  0.104821D+02 -0.919882D+00  0.619143D+01
                91            92            93            94            95 
      1   0.293491D+01 -0.252004D+01 -0.529509D+01  0.148197D+00  0.228454D+01
      2  -0.924654D+01 -0.694647D-01  0.804020D+01  0.841565D+00 -0.295112D+01
      3  -0.146273D+01 -0.186109D+02 -0.358005D+01 -0.876202D+01  0.171019D+01
                96            97            98            99           100 
      1  -0.805463D+00  0.313102D+01  0.102150D+02 -0.653922D+01 -0.333034D+01
      2  -0.455126D+01 -0.212796D+01 -0.997745D+01  0.132917D+02  0.781692D+01
      3   0.445227D+01 -0.301249D+01  0.583285D+01  0.123277D+02  0.380104D+01
               101           102           103           104           105 
      1   0.436759D+00 -0.324405D+01 -0.704330D-01 -0.560621D+00 -0.131608D+01
      2   0.106929D+01  0.911686D+01  0.724002D+00  0.151718D+01  0.135035D+01
      3  -0.392316D+01  0.203786D+01 -0.143432D+00  0.969720D+00 -0.161646D+01
               106           107           108           109           110 
      1  -0.356548D+01  0.489447D+00 -0.381859D+01  0.207323D+01  0.694470D-01
      2   0.706190D+01  0.266688D+01  0.918964D+01 -0.348186D+01 -0.233322D+01
      3   0.357791D+01 -0.496258D+01  0.678830D+00  0.309791D+00 -0.215952D+01
               111           112           113           114           115 
      1  -0.284348D+01  0.155791D+01  0.971757D+00 -0.234461D+01 -0.423187D+01
      2   0.739817D+01 -0.182513D+01 -0.423012D+01  0.428951D+01  0.932820D+01
      3   0.362100D+00 -0.161303D+00 -0.260891D+01  0.263838D+01  0.419939D+00
               116           117           118           119           120 
      1   0.959652D+00  0.706747D+01 -0.142712D+01  0.143521D+01 -0.376269D+00
      2   0.581338D+01 -0.165273D+02 -0.338958D+01  0.125048D+01  0.106217D+01
      3   0.668294D+01 -0.151402D+01  0.918346D+00 -0.170697D+01  0.599133D+00
               121           122           123           124           125 
      1   0.241157D+01 -0.175126D+00  0.610589D+00  0.165720D+01  0.390197D+01
      2   0.495965D+01 -0.735079D+00 -0.759618D+00 -0.349821D+01 -0.827047D+00
      3   0.118578D+01 -0.705456D-01 -0.604681D+00  0.900358D+00 -0.159019D+01
               126           127           128           129           130 
      1  -0.269069D+01  0.243363D+01 -0.193654D+01  0.385769D+01 -0.161899D+01
      2   0.460576D+01 -0.249543D+01  0.889143D+00 -0.438559D+00  0.999135D+00
      3   0.107019D+01 -0.841581D+01  0.171886D+01 -0.412560D+01  0.335919D+01
               131           132           133           134           135 
      1   0.188516D+01 -0.379803D+01  0.255943D+01 -0.225043D+01  0.841136D+01
      2  -0.107750D+01  0.107894D+01 -0.305852D+01  0.196242D+01 -0.280045D+01
      3  -0.535452D+01  0.279836D+01 -0.706001D+01  0.431682D+01 -0.584249D+01
               136           137           138           139           140 
      1  -0.339773D+00 -0.586209D+00  0.308166D+00  0.192003D+00 -0.335727D+01
      2   0.320861D-01 -0.902680D-01  0.447686D+00 -0.713433D+00  0.313840D+01
      3  -0.103105D+01  0.838606D+00  0.407134D+00  0.423787D+01 -0.998143D+01
               141           142           143           144           145 
      1  -0.629402D+01  0.541281D+00 -0.364788D+01 -0.668973D+01  0.385600D+01
      2   0.249627D+01 -0.220751D+01  0.338633D+01  0.356737D+01 -0.746237D+01
      3  -0.439164D+01  0.241401D+01 -0.567068D+01 -0.544107D+01  0.821892D+01
               146           147           148           149           150 
      1   0.549752D+01 -0.130081D+01  0.480162D+01  0.879670D+01 -0.171147D+01
      2  -0.498149D+01 -0.118702D+01 -0.585659D+01 -0.786341D+01 -0.179363D+01
      3   0.540474D+01  0.118558D+01  0.868264D+01  0.103199D+02  0.258575D+01
               151           152           153           154           155 
      1  -0.910887D+00  0.891228D+00  0.130909D+01 -0.376865D+01  0.536052D+01
      2  -0.147828D+01 -0.869863D+00 -0.771553D+00 -0.850929D+01  0.372301D+01
      3  -0.108054D+01 -0.290366D-01  0.145815D+01 -0.490521D+00  0.417123D+00
               156           157           158           159           160 
      1  -0.204133D+01  0.444865D+01 -0.801233D+01  0.242303D+01 -0.208425D+01
      2  -0.343724D+01  0.584590D+01 -0.557422D+01  0.531806D+01 -0.471949D+01
      3   0.434535D-01  0.262026D+01 -0.134111D+01  0.967838D+00 -0.447270D+00
               161           162           163           164           165 
      1   0.457340D+01 -0.385068D+01 -0.865441D+00 -0.195628D+01  0.212738D+01
      2   0.357288D+01 -0.521887D+01  0.356507D+01  0.353495D+00  0.396744D+01
      3   0.311589D+00 -0.119555D+01 -0.204184D+01 -0.269351D+01  0.250930D+00
               166           167           168           169           170 
      1  -0.226173D+00  0.108366D+01  0.156472D+00  0.103611D+01  0.258758D+01
      2  -0.112947D+01 -0.146980D+01 -0.270202D-01 -0.297540D+01  0.184614D-01
      3   0.535005D+00  0.191868D+01  0.133151D+01  0.168502D+01  0.171461D+01
               171           172           173           174           175 
      1  -0.261061D+01  0.258068D+01  0.109560D+01  0.412755D+01  0.753803D+00
      2  -0.303640D+01  0.286377D+01  0.548048D+00  0.657569D+01  0.913739D+00
      3  -0.765503D+00 -0.244481D+01 -0.920235D+00 -0.314544D+01  0.160294D+00
               176           177           178           179           180 
      1   0.233938D+01  0.183759D+01  0.495691D+01  0.404280D+01  0.115996D+02
      2   0.227144D+01  0.382408D+01  0.496839D+01  0.100758D+00  0.190049D+02
      3  -0.178723D+01 -0.310479D+01 -0.341838D+01 -0.538158D+01 -0.462231D+01
               181           182           183           184           185 
      1  -0.971993D+00 -0.529216D+00 -0.187213D+01 -0.380645D+00 -0.248355D+01
      2   0.130653D+01  0.300655D+01 -0.660854D+00  0.226708D+01  0.404844D+01
      3   0.911213D+01  0.127097D+02 -0.230848D+01  0.923256D+01  0.253907D+02
               186           187           188           189           190 
      1  -0.375416D+01  0.216824D+00 -0.770220D-01  0.120093D+01 -0.539270D+01
      2  -0.261772D+01 -0.644955D+00 -0.287397D+01  0.203520D+01 -0.935768D+01
      3  -0.410888D+01 -0.148712D+01 -0.297020D+01  0.286882D+01 -0.375446D+01
               191           192           193           194           195 
      1   0.221628D+01  0.477960D+01  0.248232D+01 -0.197472D+01 -0.201796D+01
      2   0.443032D+01  0.951099D+01  0.374341D+01 -0.306129D+01 -0.210271D+01
      3  -0.328722D+01  0.704286D+00 -0.428103D-01  0.408545D+01  0.460013D+00
               196           197           198           199           200 
      1   0.446982D+01 -0.765271D+00 -0.363173D+01  0.295456D+00 -0.118020D+01
      2   0.757504D+01 -0.309670D+01 -0.714958D+01 -0.388387D+00  0.124920D+01
      3   0.771309D+00  0.372722D+01 -0.118629D+01  0.157425D+00 -0.780734D-01
               201           202           203           204           205 
      1  -0.568295D+00 -0.205549D+01 -0.526217D+01 -0.187048D+01 -0.555795D+01
      2  -0.435689D+00  0.231524D+01  0.838849D+00  0.769936D+00 -0.276700D+01
      3   0.726087D-01  0.331016D+01 -0.271502D+01  0.218267D+00 -0.151127D+01
               206           207           208           209           210 
      1   0.208209D+01 -0.873149D+00  0.108460D+01  0.114492D-01 -0.231370D+00
      2   0.158519D+00  0.555599D+00  0.207610D+01 -0.297721D+00  0.353523D+00
      3   0.696989D+00 -0.788683D+00  0.346416D+01  0.782181D+00 -0.340144D+00
               211           212           213           214           215 
      1  -0.329560D+00  0.777963D+00 -0.358695D+01 -0.205627D+01  0.341675D+00
      2  -0.259753D+00  0.312984D+01 -0.220879D+01 -0.368397D+01 -0.175219D+01
      3   0.570170D+01  0.134278D+02 -0.250235D+01 -0.208996D+01 -0.295460D+01
               216           217           218           219           220 
      1   0.407859D+00 -0.149734D-01 -0.370413D+00  0.150143D+01 -0.106502D+01
      2   0.524602D+00 -0.151359D+01  0.834516D+00 -0.204193D+01  0.151179D+01
      3   0.162476D+01 -0.932594D+00  0.291392D+01 -0.186457D+01  0.101852D+01
               221           222           223           224           225 
      1   0.120587D+01 -0.272369D+01 -0.149797D+01 -0.275506D+01  0.116923D+02
      2  -0.351642D+01  0.449823D+01  0.400030D-01  0.809935D+01 -0.226312D+02
      3  -0.529505D+01  0.365109D+01 -0.300055D+00  0.670878D+01 -0.861231D+01
               226           227           228           229           230 
      1  -0.212707D+01 -0.567913D+00 -0.230820D+01 -0.589005D+00 -0.582167D+00
      2   0.535853D+01  0.157011D+01  0.675268D+01  0.106450D+01  0.137163D+01
      3   0.407051D+01 -0.531569D+01  0.580722D+00  0.280166D+00 -0.101296D+01
               231           232           233           234           235 
      1  -0.134866D+01 -0.114463D+01 -0.209853D-01 -0.429818D+00 -0.821043D+00
      2   0.151457D+01  0.300962D+01  0.189586D+01  0.126928D+01  0.354530D+01
      3  -0.938813D+00  0.575720D+00 -0.191451D+01 -0.105450D+01 -0.572709D+01
               236           237           238           239           240 
      1   0.300865D+01  0.289737D+01  0.176921D+01 -0.437320D+01 -0.429921D+01
      2  -0.272734D+01 -0.310594D+01 -0.147759D+01  0.548796D+01  0.511714D+01
      3   0.110674D+02  0.462372D+01  0.680983D+01 -0.172880D+02 -0.645806D+01
               241           242           243 
      1   0.373104D+00 -0.385236D+01 -0.392778D+01
      2  -0.192135D+01  0.705890D+01  0.533139D+01
      3   0.362732D+01 -0.983011D+01 -0.871572D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566592D+01  0.629060D+01  0.731662D+01  0.413981D+01  0.182626D+02
      2   0.506727D+01 -0.185252D+02 -0.111720D+02 -0.152641D+02 -0.102334D+02
      3  -0.107332D+02  0.122346D+02  0.385541D+01  0.111242D+02 -0.802923D+01
      4   0.771341D+01  0.638082D+01 -0.122960D+02  0.795208D+01 -0.286897D+01
      5   0.202298D+02 -0.124693D+02 -0.241136D+02 -0.121903D+02 -0.304971D+01
      6  -0.811918D+01 -0.691093D+01  0.115826D+02 -0.752194D+01 -0.573254D+01
                 6             7             8             9            10 
      1  -0.887889D+01  0.447557D+01 -0.113223D+02 -0.176465D+02 -0.403815D+01
      2  -0.394705D+00 -0.858829D+01  0.133242D+01  0.824890D+01  0.309081D+00
      3   0.927359D+01  0.411272D+01  0.998985D+01  0.939763D+01  0.372906D+01
      4   0.690747D+01 -0.142225D+02  0.726458D+01  0.349967D+01 -0.142278D+02
      5   0.171065D+01 -0.231283D+02  0.535297D+01  0.716224D+01 -0.100326D+02
      6  -0.357224D+01  0.109993D+02 -0.255804D+01  0.611912D+01  0.736477D+01
                11            12            13            14            15 
      1  -0.860299D+01 -0.987630D+00 -0.223937D+00 -0.242146D+02  0.786546D+01
      2   0.110255D+02  0.797700D+00  0.210957D+01  0.109783D+02 -0.124791D+01
      3  -0.242252D+01  0.189929D+00 -0.188564D+01  0.132363D+02 -0.661754D+01
      4  -0.131599D+02  0.109875D+02 -0.173276D+02 -0.178263D+02 -0.692461D+01
      5   0.104707D+02  0.133146D+02  0.119677D+02 -0.239253D+01  0.532311D+01
      6  -0.681781D+01 -0.196078D+01 -0.258948D+01  0.970336D+01 -0.955121D+00
                16            17            18            19            20 
      1  -0.708137D+00  0.128337D+02  0.136841D+02  0.348384D+02  0.730267D+01
      2  -0.571659D+01 -0.334739D+01 -0.968965D+01 -0.161125D+02 -0.884226D+01
      3   0.642473D+01 -0.948634D+01 -0.399443D+01 -0.187259D+02  0.153959D+01
      4   0.162263D+02 -0.128044D+02  0.145926D+01  0.925455D+01 -0.623380D+01
      5   0.203977D+02  0.127292D+01  0.900300D+01 -0.619676D+01 -0.186877D+01
      6  -0.294561D+01 -0.681471D+00 -0.763608D+01 -0.740181D+01 -0.802130D+00
                21            22            23            24            25 
      1   0.466350D+01  0.196422D+01  0.232895D+01 -0.307823D+01  0.180963D+02
      2   0.221364D+01 -0.363812D+01 -0.621552D+01  0.554573D+00  0.725740D+01
      3  -0.687714D+01  0.167390D+01  0.388657D+01  0.252365D+01 -0.253537D+02
      4  -0.406700D+01 -0.622075D+01 -0.249046D+01  0.437888D+01 -0.111354D+02
      5  -0.625670D+01 -0.505617D+01  0.121101D+01  0.389561D+01 -0.162633D+02
      6  -0.161000D+00 -0.166245D+01 -0.386374D+01  0.279029D+01 -0.173305D+01
                26            27            28            29            30 
      1  -0.757912D+01  0.112192D+02 -0.112758D+03  0.103793D+02 -0.119748D+02
      2   0.373389D+01  0.126479D+02  0.465319D+02 -0.565751D+01  0.476549D+01
      3   0.384523D+01 -0.238671D+02  0.662262D+02 -0.472178D+01  0.720934D+01
      4   0.871565D+01  0.145323D+01  0.174551D+02 -0.928512D+01  0.129551D+01
      5   0.465492D+01 -0.147659D+02 -0.219938D+01 -0.747644D+00 -0.809781D+01
      6   0.351177D+01  0.118864D+01  0.805336D+01  0.209695D+01  0.130171D+01
                31            32            33            34            35 
      1   0.459042D+02 -0.761018D+01  0.148319D+01 -0.391979D+02 -0.100389D+01
      2  -0.218862D+02  0.251086D+01  0.232344D+00  0.112517D+02  0.344197D+01
      3  -0.240180D+02  0.509932D+01 -0.171554D+01  0.279462D+02 -0.243808D+01
      4  -0.156359D+02 -0.255609D+01  0.720971D+00  0.729140D+01 -0.306497D+01
      5   0.704686D+01  0.177625D+01  0.167045D+01 -0.735358D+01  0.273875D+00
      6   0.134397D+01  0.845060D+01 -0.760681D+00  0.204449D+00  0.307444D+01
                36            37            38            39            40 
      1  -0.300619D+02  0.161316D+03 -0.244684D+02  0.283209D+02 -0.225084D+02
      2   0.279115D+00 -0.698889D+02  0.104957D+02 -0.100903D+02  0.681113D+01
      3   0.297828D+02 -0.914271D+02  0.139727D+02 -0.182305D+02  0.156973D+02
      4   0.473886D+01 -0.463943D+02  0.147039D+02 -0.573172D+01  0.166698D+02
      5  -0.121482D+02  0.217288D+02 -0.193193D+01  0.177547D+02  0.281373D+01
      6   0.320328D+01 -0.909931D+01 -0.106504D+01 -0.237781D+01 -0.109953D+01
                41            42            43            44            45 
      1   0.128762D+02 -0.702405D+01  0.387414D+02 -0.849235D+01  0.849721D+01
      2  -0.110227D+02  0.265035D+01 -0.173207D+02  0.691511D+01 -0.745481D+01
      3  -0.185347D+01  0.437370D+01 -0.214207D+02  0.157724D+01 -0.104240D+01
      4   0.120986D+02 -0.452305D+01 -0.577809D+01 -0.600091D+01 -0.615283D+01
      5  -0.628679D+01 -0.180559D+01  0.284615D+02 -0.623650D+01  0.606278D+01
      6   0.388563D+01  0.350964D+01 -0.864049D+01  0.685421D+01  0.660081D+00
                46            47            48            49            50 
      1  -0.146858D+03  0.359712D+02 -0.250873D+02  0.534967D+02 -0.238796D+02
      2   0.660568D+02 -0.162414D+02  0.141111D+02 -0.325211D+02  0.544226D+01
      3   0.808013D+02 -0.197298D+02  0.109762D+02 -0.209756D+02  0.184374D+02
      4   0.660642D+02 -0.346131D+02  0.152484D+02 -0.365321D+02 -0.802298D+01
      5  -0.386740D+02  0.112877D+02 -0.235849D+02  0.213320D+02 -0.206220D+01
      6   0.147857D+02 -0.572285D+01  0.270745D+01  0.461516D-01  0.387876D+01
                51            52            53            54            55 
      1   0.133989D+02 -0.493586D+02  0.123691D+02 -0.150475D+02  0.160112D+03
      2  -0.111620D+02  0.236401D+02 -0.358044D+01  0.302305D+01 -0.776867D+02
      3  -0.223697D+01  0.257186D+02 -0.878870D+01  0.120245D+02 -0.824257D+02
      4  -0.189432D+01  0.268171D+02 -0.456056D+01  0.759580D+01 -0.654656D+02
      5   0.525484D+01 -0.869194D+01  0.546768D+01 -0.121194D+02  0.337178D+02
      6  -0.599745D+01  0.771400D+00  0.172206D+01  0.477322D+01 -0.776880D+01
                56            57            58            59            60 
      1  -0.393235D+02  0.250896D+02 -0.930492D+02  0.301471D+02 -0.134998D+02
      2   0.148187D+02 -0.155520D+02  0.379496D+02 -0.312358D+01  0.787667D+01
      3   0.245048D+02 -0.953766D+01  0.550996D+02 -0.270236D+02  0.562311D+01
      4   0.428485D+02 -0.118514D+02  0.685453D+02 -0.503524D+02  0.149841D+02
      5  -0.986386D+01  0.300984D+02 -0.223548D+02  0.123947D+02 -0.176510D+02
      6   0.378553D+01 -0.606261D+01  0.883148D+01 -0.579437D+01  0.114871D+02
                61            62            63            64            65 
      1   0.458934D+02 -0.650717D+01  0.246404D+02 -0.225898D+02  0.270175D+02
      2  -0.263239D+02  0.460671D+01 -0.188650D+02  0.674170D+01 -0.245562D+02
      3  -0.195694D+02  0.190046D+01 -0.577539D+01  0.158481D+02 -0.246132D+01
      4  -0.187880D+02  0.119606D+02 -0.208994D+02  0.215489D+02  0.702549D+01
      5   0.468093D+02 -0.196244D+02  0.299392D+02  0.140567D+02 -0.148255D+02
      6  -0.924502D+01  0.109704D+02 -0.805539D+01 -0.959262D+01  0.139544D+02
                66            67            68            69            70 
      1   0.997739D+01  0.200581D+02  0.274907D+02 -0.168419D+02  0.162756D+02
      2   0.536913D+01 -0.164620D+02 -0.243603D+02  0.106690D+02  0.496782D+01
      3  -0.153465D+02 -0.359609D+01 -0.313036D+01  0.617292D+01 -0.212434D+02
      4  -0.192743D+02  0.813322D+01  0.177193D+01  0.951471D+01 -0.244697D+02
      5  -0.172478D+02 -0.162481D+02  0.752644D+01 -0.100673D+02 -0.229325D+02
      6   0.591915D+01  0.115617D+02  0.110025D+00  0.337994D+01  0.804537D+01
                71            72            73            74            75 
      1  -0.193291D+02 -0.214645D+02  0.401745D+00 -0.126001D+02 -0.199121D+02
      2   0.980578D+01  0.227383D+02 -0.627338D+00  0.100218D+02  0.120547D+02
      3   0.952335D+01 -0.127378D+01  0.225593D+00  0.257835D+01  0.785732D+01
      4   0.131201D+02  0.178195D+01 -0.110212D+02  0.535811D+01 -0.141803D+01
      5  -0.477681D+01 -0.274938D+02 -0.987584D+01  0.286651D+01 -0.208083D+02
      6   0.346859D+01  0.651597D+01 -0.368173D+01  0.630097D+01 -0.657067D+01
                76            77            78            79            80 
      1  -0.159005D+02  0.163468D+02  0.654881D+01 -0.214129D+02  0.251238D+01
      2   0.163042D+02 -0.154642D+01 -0.493398D+01  0.129173D+02 -0.175278D+01
      3  -0.403714D+00 -0.148003D+02 -0.161483D+01  0.849564D+01 -0.759605D+00
      4   0.136179D+02  0.341242D+02  0.430314D+01  0.445000D+01  0.904151D+01
      5   0.948748D+01 -0.162013D+01 -0.108330D+02 -0.337368D+02 -0.142697D+02
      6   0.329516D+01 -0.742878D+00 -0.376807D+01 -0.123225D+02 -0.560770D+01
                81            82            83            84            85 
      1  -0.215446D+02 -0.179293D+02 -0.495673D+00  0.142338D+02  0.151906D+01
      2   0.143701D+02  0.160683D+02  0.612674D+01 -0.135681D+02  0.256901D+01
      3   0.717444D+01  0.186099D+01 -0.563107D+01 -0.665759D+00 -0.408807D+01
      4  -0.189450D+02  0.122900D+01  0.102993D+02  0.253394D+01  0.946188D+01
      5   0.909170D+01  0.628062D+01 -0.269175D+01  0.184794D+01 -0.570802D+01
      6   0.762972D+01  0.920879D+01 -0.627048D+01  0.317198D+01 -0.376537D+01
                86            87            88            89            90 
      1   0.907957D+01  0.444807D+01  0.165584D+02  0.947251D+01  0.136089D+02
      2  -0.398274D+01 -0.812752D+01 -0.158759D+02 -0.157809D+02 -0.154940D+02
      3  -0.509683D+01  0.367945D+01 -0.682465D+00  0.630834D+01  0.188503D+01
      4  -0.241609D+01 -0.120229D+02  0.100380D+01 -0.173026D+02 -0.231612D+01
      5  -0.609410D+01 -0.320823D+01  0.343018D+01 -0.461044D+01 -0.120950D+00
      6  -0.160168D+02 -0.133126D+02  0.329723D+01 -0.179600D+02 -0.231789D+01
                91            92            93            94            95 
      1  -0.567161D+02 -0.276798D+02 -0.140399D+02 -0.116174D+02  0.184577D+02
      2   0.244338D+02  0.215989D+02  0.106804D+02  0.129007D+02 -0.414722D+01
      3   0.322823D+02  0.608089D+01  0.335953D+01 -0.128332D+01 -0.143105D+02
      4  -0.245171D+02  0.145549D+02 -0.467123D+01  0.194331D+02  0.137949D+02
      5  -0.121238D+02 -0.190483D+01  0.114561D+02 -0.172424D+01 -0.728143D+01
      6  -0.586674D+01  0.190090D+01  0.708464D+01 -0.100081D+00 -0.828993D+01
                96            97            98            99           100 
      1   0.313505D+01 -0.209925D+02  0.733620D+00  0.196793D+02  0.496323D+02
      2  -0.723767D+01  0.114687D+02 -0.978073D+01 -0.831202D+01 -0.257577D+02
      3   0.410262D+01  0.952381D+01  0.904711D+01 -0.113673D+02 -0.238746D+02
      4  -0.569522D+01 -0.603085D+01 -0.528378D+01 -0.127942D+02  0.221864D+02
      5  -0.907393D+01  0.469221D+01 -0.151071D+02  0.243298D+02  0.223107D+02
      6  -0.357403D+01  0.263896D+01 -0.104698D+02  0.125546D+02  0.527486D+01
               101           102           103           104           105 
      1   0.882598D+01  0.185012D+02  0.288952D+01  0.424281D+01 -0.558496D+00
      2  -0.262442D+01 -0.103533D+02  0.181996D+00 -0.114666D+01  0.160271D+01
      3  -0.620156D+01 -0.814795D+01 -0.307151D+01 -0.309615D+01 -0.104421D+01
      4   0.127896D+02  0.737817D+01  0.981554D+01  0.351923D+01  0.503167D+01
      5   0.343372D+01  0.183130D+02  0.134074D+01  0.519706D+01  0.284646D+01
      6   0.176918D+01  0.516593D+01  0.211871D+01  0.229750D+01  0.355957D+01
               106           107           108           109           110 
      1   0.302568D+02  0.289316D+01  0.163623D+02  0.215029D+02  0.778801D+01
      2  -0.173384D+02  0.681444D+00 -0.123584D+02 -0.123026D+02 -0.353599D+01
      3  -0.129184D+02 -0.357460D+01 -0.400388D+01 -0.920031D+01 -0.425201D+01
      4   0.135015D+02  0.105149D+02  0.111827D+02  0.168281D+02  0.100977D+02
      5   0.248015D+02  0.695116D+01  0.203740D+02 -0.162585D+02 -0.672040D+01
      6   0.703599D+01  0.457286D+01  0.606621D+01 -0.705603D+01 -0.417770D+01
               111           112           113           114           115 
      1  -0.777715D+01  0.656754D+01 -0.827883D+00 -0.985418D+00 -0.162580D+02
      2   0.546403D+01 -0.217567D+01  0.342529D+01 -0.813285D+00  0.118279D+02
      3   0.231312D+01 -0.439186D+01 -0.259741D+01  0.179870D+01  0.443007D+01
      4  -0.862398D+01  0.124345D+02  0.975146D+01 -0.105494D+02 -0.190633D+02
      5   0.175144D+02 -0.733863D+01 -0.925144D+01  0.877211D+01  0.301332D+02
      6   0.624470D+01 -0.584930D+01 -0.667422D+01  0.803532D+01  0.127977D+02
               116           117           118           119           120 
      1  -0.255228D+01  0.837131D+01 -0.149214D+01  0.170049D+00 -0.139613D+01
      2  -0.323369D+00 -0.133154D+02 -0.523843D+01  0.892097D+00 -0.422904D+01
      3   0.287565D+01  0.494407D+01  0.673057D+01 -0.106215D+01  0.562517D+01
      4  -0.181009D+02  0.182205D+02 -0.269253D+00  0.371982D+01  0.511046D+00
      5   0.141659D+02 -0.348975D+02  0.800781D+01 -0.836225D+00  0.111846D+02
      6   0.110382D+02 -0.166377D+02  0.329146D+00  0.125347D+01  0.206222D+00
               121           122           123           124           125 
      1   0.546397D+01 -0.435200D+01  0.271555D+01 -0.836413D+01  0.561683D+00
      2  -0.140580D+01 -0.327320D+00  0.139100D+01 -0.546435D+01  0.317871D+01
      3  -0.405817D+01  0.467932D+01 -0.410655D+01  0.138285D+02 -0.374040D+01
      4   0.376979D+01  0.409723D+00  0.284680D+01  0.133307D+01  0.373725D+01
      5  -0.130263D+01  0.296696D+01 -0.208631D+01  0.162919D+02 -0.268749D+01
      6   0.159292D+01 -0.147037D+01  0.644308D+01  0.144925D+01  0.462231D+01
               126           127           128           129           130 
      1  -0.230351D+02 -0.348535D+01  0.716708D+01 -0.560146D+01  0.448499D+01
      2  -0.182016D+02  0.324159D+01 -0.934257D+01  0.493727D+01 -0.520132D+01
      3   0.412367D+02  0.243757D+00  0.217549D+01  0.664184D+00  0.716330D+00
      4  -0.430030D+00 -0.553305D+01  0.118405D+00 -0.223079D+01  0.181706D+01
      5   0.225008D+02 -0.478531D+00  0.590754D+00 -0.816703D+00  0.455111D+00
      6   0.639887D+00 -0.534474D+01  0.392172D+01 -0.570042D+01  0.257721D+01
               131           132           133           134           135 
      1  -0.126086D+02  0.495704D+01 -0.873605D+01  0.946884D+01 -0.129827D+02
      2   0.148556D+02 -0.504204D+01  0.604399D+01 -0.107303D+02  0.872597D+01
      3  -0.224705D+01  0.849951D-01  0.269205D+01  0.126146D+01  0.425678D+01
      4   0.299413D+00  0.786232D+00 -0.491399D+01 -0.552654D+00 -0.767613D+00
      5  -0.798444D+00  0.168654D+01 -0.436750D-01  0.247622D+01 -0.403152D+01
      6  -0.480427D+01  0.840786D+01 -0.436804D+01  0.109040D+02 -0.127933D+02
               136           137           138           139           140 
      1  -0.866824D+00  0.348637D+01  0.543440D+00  0.220332D+01 -0.295931D+02
      2   0.242938D+01 -0.191267D+01  0.384566D+00  0.342224D+00  0.394818D+02
      3  -0.156256D+01 -0.157370D+01 -0.928005D+00 -0.254554D+01 -0.988874D+01
      4   0.494436D+01  0.721196D+01  0.322077D+01  0.777933D+01  0.198979D+02
      5   0.111787D+01  0.293157D+01  0.328469D+01  0.253549D+01  0.867763D+01
      6   0.344313D+01  0.963079D+00 -0.251152D+00  0.180933D+01  0.255195D+02
               141           142           143           144           145 
      1  -0.142700D+02 -0.311644D-01 -0.202186D+02 -0.172579D+02 -0.737842D+01
      2   0.156746D+02  0.215887D+01  0.216698D+02  0.121669D+02  0.674216D+01
      3  -0.140455D+01 -0.212771D+01 -0.145121D+01  0.509095D+01  0.636253D+00
      4   0.935450D+01  0.522260D+01  0.139449D+02  0.868046D+01  0.268652D+01
      5   0.602914D+01  0.329819D+01  0.910307D+01  0.815770D+01  0.387275D+01
      6   0.184237D+02  0.910270D+00  0.238855D+02  0.208190D+02  0.567109D+01
               146           147           148           149           150 
      1  -0.106153D+02 -0.623195D+01 -0.874618D+01 -0.210231D+02 -0.657923D+01
      2   0.117322D+02  0.171023D+01  0.102432D+02  0.242152D+02  0.166977D+01
      3  -0.111699D+01  0.452172D+01 -0.149703D+01 -0.319204D+01  0.490946D+01
      4   0.535156D-01  0.100245D+01  0.242225D+01 -0.592329D+01 -0.224984D+01
      5   0.426440D+01  0.231646D+01  0.615858D+01  0.262608D+01 -0.226129D+01
      6   0.953613D+01  0.377602D+01  0.675575D+01  0.171902D+02  0.902291D+01
               151           152           153           154           155 
      1  -0.200105D+01 -0.785424D+00 -0.197526D+01 -0.600334D+01  0.275398D+01
      2  -0.518085D-01 -0.174144D+01  0.101226D+01 -0.163715D+01  0.285635D+01
      3   0.205286D+01  0.252687D+01  0.962995D+00  0.764049D+01 -0.561033D+01
      4   0.977530D+00  0.319785D+00 -0.513609D+00  0.253288D+01 -0.277730D+01
      5   0.260741D+01 -0.362152D+00  0.304760D+00  0.201614D+01 -0.695703D+00
      6   0.168999D+01  0.481914D+01  0.175359D+01 -0.230583D+01  0.540115D+01
               156           157           158           159           160 
      1  -0.897933D+01  0.433949D+01 -0.883720D+01  0.100633D+02 -0.532536D+01
      2  -0.219970D+01  0.127655D+01  0.150413D+01  0.439464D+01 -0.124134D+01
      3   0.111790D+02 -0.561604D+01  0.733307D+01 -0.144580D+02  0.656670D+01
      4   0.315837D+01 -0.303963D+01  0.703569D+01 -0.411717D+01  0.307057D+01
      5   0.317494D+01 -0.214527D+01  0.542236D+00  0.371419D+01  0.489541D+01
      6  -0.294585D+01  0.409160D+01 -0.885172D+01  0.560820D+01 -0.306249D+01
               161           162           163           164           165 
      1   0.607977D+01 -0.954661D+01  0.163230D+02 -0.155331D+01 -0.301699D+01
      2   0.235071D+01 -0.646975D+01 -0.172646D+02  0.299651D+01  0.149782D+02
      3  -0.843048D+01  0.160164D+02  0.941659D+00 -0.144320D+01 -0.119612D+02
      4  -0.315852D+01  0.359176D+01 -0.131467D+02  0.995127D+01  0.975367D+01
      5  -0.926977D-01 -0.208046D+01 -0.323094D+02  0.103490D+02  0.304379D+02
      6   0.595875D+01 -0.462222D+01  0.839325D+01 -0.746824D+01 -0.991323D+01
               166           167           168           169           170 
      1  -0.130237D+01 -0.159757D+01 -0.118628D+01 -0.401016D+01 -0.943747D+00
      2   0.195340D+01  0.238340D+00 -0.642741D+00  0.124370D+02 -0.179568D+01
      3  -0.651023D+00  0.135923D+01  0.182902D+01 -0.842680D+01  0.273943D+01
      4   0.731378D+01 -0.575455D+01 -0.683499D+01  0.804731D+01 -0.620430D+01
      5   0.638238D+01 -0.709249D+01 -0.604361D+01  0.241962D+02 -0.824493D+01
      6  -0.484575D+01  0.601098D+01  0.780900D+01 -0.748420D+01  0.744504D+01
               171           172           173           174           175 
      1  -0.238643D+01  0.153670D+02 -0.222431D+01  0.918002D+01  0.468556D+01
      2  -0.160679D+02 -0.112795D+02  0.102687D+01 -0.103198D+02 -0.337235D+01
      3   0.184543D+02 -0.408757D+01  0.119743D+01  0.113981D+01 -0.131321D+01
      4  -0.829739D+01 -0.585439D+01  0.341557D+01 -0.140533D+01  0.809663D+00
      5  -0.282636D+02  0.140324D+02  0.923062D+00  0.188277D+02  0.607697D+01
      6   0.103176D+02 -0.299734D+01  0.296233D+00 -0.556254D+01 -0.335425D+00
               176           177           178           179           180 
      1  -0.173660D+01  0.433187D+01  0.133592D+02  0.247962D+01  0.818471D+01
      2  -0.158553D+00 -0.692194D+01 -0.141826D+02 -0.487631D+01 -0.235313D+02
      3   0.189516D+01  0.259006D+01  0.823409D+00  0.239670D+01  0.153466D+02
      4   0.383918D+01  0.409725D+01 -0.496290D+01  0.869552D+01 -0.486157D+01
      5   0.449988D+01  0.853730D+01  0.259805D+02 -0.103122D+01  0.453008D+02
      6   0.300223D+00  0.163921D+01 -0.792671D+01  0.546123D+01 -0.160039D+02
               181           182           183           184           185 
      1  -0.873676D+01 -0.197697D+02  0.220407D+01 -0.143026D+02 -0.331144D+02
      2   0.882431D+01  0.221714D+02 -0.251641D+01  0.110681D+02  0.451612D+02
      3  -0.875531D-01 -0.240176D+01  0.312343D+00  0.323449D+01 -0.120468D+02
      4   0.118511D+01 -0.711458D+01  0.335199D+01  0.489751D+01 -0.261116D+02
      5  -0.304901D+01  0.175869D+01 -0.107055D+01 -0.811614D+00  0.226464D+01
      6  -0.109342D+01 -0.630931D+01  0.456322D+01 -0.256861D+01 -0.117280D+02
               186           187           188           189           190 
      1   0.656121D+01 -0.238690D+00  0.615298D+01 -0.352451D+01  0.589220D+02
      2  -0.577681D+01 -0.132944D+01 -0.421799D+01  0.257387D+01 -0.231493D+02
      3  -0.784396D+00  0.156813D+01 -0.193500D+01  0.950636D+00 -0.357727D+02
      4   0.338517D+01  0.225850D+01  0.988553D+00 -0.305408D+01 -0.392340D+02
      5  -0.418111D+01  0.277689D+01 -0.330401D+01  0.405468D+01 -0.137789D+02
      6   0.833239D+01  0.964939D+00  0.763431D+01 -0.396715D+01  0.678550D+01
               191           192           193           194           195 
      1  -0.188093D+02 -0.139508D+02 -0.118133D+02  0.508963D+01  0.388246D+01
      2   0.349267D+01  0.448590D+01  0.566486D+00  0.477809D+01 -0.668116D-01
      3   0.153166D+02  0.946493D+01  0.112468D+02 -0.986773D+01 -0.381565D+01
      4   0.231234D+02  0.992163D+01  0.189533D+02 -0.160119D+02 -0.669123D+01
      5   0.546753D+01  0.149184D+02  0.456498D+01 -0.488612D+01 -0.243824D+01
      6  -0.375031D+01 -0.696941D+01 -0.360460D+01  0.196884D+01  0.316116D+01
               196           197           198           199           200 
      1  -0.265302D+02  0.847718D+01  0.118828D+02  0.762928D-01  0.145052D+01
      2   0.902783D+01  0.278081D+00 -0.721754D+01 -0.541768D+00  0.351232D-01
      3   0.175024D+02 -0.875526D+01 -0.466524D+01  0.465476D+00 -0.148564D+01
      4   0.212963D+02 -0.165046D+02 -0.927373D+01  0.332557D+01  0.506343D+01
      5   0.170957D+02 -0.617998D+01 -0.121315D+02 -0.101341D+01 -0.182454D+01
      6  -0.802046D+01  0.437385D+01  0.666505D+01 -0.228474D+01 -0.613794D+00
               201           202           203           204           205 
      1  -0.128726D+01  0.243369D+01 -0.129796D+02  0.608712D+01 -0.145117D+01
      2   0.502806D+00 -0.709788D+00  0.130980D+02 -0.245962D+01  0.293744D+01
      3   0.784456D+00 -0.172390D+01 -0.118363D+00 -0.362749D+01 -0.148628D+01
      4  -0.931334D+00  0.516501D+01  0.887089D+01 -0.298070D+01 -0.111169D+01
      5   0.119195D+01 -0.225884D+01 -0.376399D+01  0.246986D+01  0.190243D+01
      6   0.454191D+00 -0.544104D+00 -0.108196D+02  0.645811D+01  0.206753D+01
               206           207           208           209           210 
      1   0.472555D+01 -0.104405D+01 -0.958945D+00 -0.203407D+01  0.475175D+00
      2  -0.255961D+01  0.712560D+00  0.258869D+01  0.142096D+01 -0.175470D+00
      3  -0.216594D+01  0.331493D+00 -0.162974D+01  0.613111D+00 -0.299705D+00
      4  -0.140256D+01  0.367048D+00 -0.158069D+01  0.461616D+01 -0.108534D+01
      5   0.162302D+01 -0.263824D+00  0.940575D+00 -0.536890D+00  0.728233D+00
      6   0.454245D+01 -0.342336D+01 -0.890671D+00  0.108800D+01 -0.480785D-01
               211           212           213           214           215 
      1  -0.504667D+01 -0.202145D+02  0.309677D+01  0.240293D+01  0.446383D+01
      2   0.234283D+01  0.262553D+02 -0.300509D+01 -0.240714D+00 -0.491065D+01
      3   0.270384D+01 -0.604077D+01 -0.916831D-01 -0.216222D+01  0.446820D+00
      4   0.347837D+01 -0.195428D+02  0.299649D+01 -0.171005D+01  0.504463D+01
      5  -0.624305D+00  0.228784D+01 -0.260788D+01 -0.993823D+00 -0.204056D+01
      6   0.465926D+00 -0.184611D+01  0.481640D+01  0.164006D+01  0.348754D+01
               216           217           218           219           220 
      1  -0.384290D+01  0.457191D+01  0.608778D+01 -0.606661D+01  0.484375D+01
      2   0.319672D+01 -0.356343D+01 -0.474780D+01  0.198938D+01 -0.245979D+01
      3   0.646178D+00 -0.100848D+01 -0.133998D+01  0.407723D+01 -0.238396D+01
      4  -0.243875D+01  0.195968D+01 -0.329782D+01 -0.105266D+01  0.250154D+01
      5   0.154542D+01 -0.306900D+01  0.434950D+00 -0.655244D+00 -0.453360D+00
      6  -0.217996D+01 -0.230607D+01  0.108879D+01 -0.263626D+01 -0.106932D+01
               221           222           223           224           225 
      1  -0.771927D+01  0.461616D+01 -0.904715D+01  0.484659D+01 -0.166309D+02
      2   0.615754D+01 -0.359835D+01  0.459480D+01 -0.308043D+01 -0.362694D+01
      3   0.156174D+01 -0.101781D+01  0.445234D+01 -0.176615D+01  0.202579D+02
      4   0.807137D+01 -0.648230D+01 -0.976987D+01 -0.157018D+02  0.136566D+02
      5  -0.694840D+01  0.860056D+01  0.871844D+01  0.156898D+02 -0.423968D+02
      6  -0.560186D+01  0.940529D+01  0.303712D+01  0.132302D+02 -0.229736D+02
               226           227           228           229           230 
      1   0.848406D+02  0.199792D+02  0.611671D+01  0.872760D+01  0.831821D+01
      2  -0.384755D+02 -0.526705D+01 -0.269212D+01 -0.253199D+00 -0.851839D+00
      3  -0.463652D+02 -0.147122D+02 -0.342459D+01 -0.847440D+01 -0.746637D+01
      4   0.423595D+02  0.229116D+02  0.340099D+01  0.152799D+02  0.965466D+01
      5   0.336579D+01  0.116587D+01  0.125369D+02  0.726552D+00  0.191335D+01
      6   0.291294D+01  0.633167D+00  0.432147D+01  0.669810D-01  0.120342D+01
               231           232           233           234           235 
      1   0.264676D+00  0.123491D+02  0.254533D+01  0.735459D+01 -0.509739D+01
      2   0.101795D+01 -0.599302D+01  0.346378D+00 -0.441184D+01  0.515939D+01
      3  -0.128263D+01 -0.635612D+01 -0.289171D+01 -0.294274D+01 -0.619961D-01
      4   0.231484D+01  0.685578D+01  0.504425D+01  0.629404D+01 -0.447265D+00
      5   0.235855D+01  0.115951D+02  0.483832D+01  0.263669D+01  0.425359D+01
      6   0.216857D+01  0.382544D+01  0.303176D+01  0.788308D+00  0.358650D+01
               236           237           238           239           240 
      1   0.149490D+02  0.884976D+01  0.150676D+02 -0.210492D+02 -0.848523D+01
      2  -0.151800D+02 -0.615772D+01 -0.982662D+01  0.264490D+02  0.956052D+01
      3   0.230976D+00 -0.269204D+01 -0.524098D+01 -0.539978D+01 -0.107529D+01
      4  -0.968586D+01 -0.227588D+00  0.250164D+01  0.203207D+02  0.621566D+01
      5  -0.212948D+01 -0.535123D+01 -0.267221D+01  0.764372D+01  0.938807D+01
      6  -0.408106D+01 -0.533952D+01 -0.212885D+01  0.861508D+01  0.838052D+01
               241           242           243 
      1   0.106731D+02 -0.981373D+01 -0.127587D+02
      2  -0.544506D+01  0.122051D+02  0.805505D+01
      3  -0.522807D+01 -0.239139D+01  0.470369D+01
      4   0.360457D+01  0.122504D+02  0.822231D+01
      5  -0.943211D+00  0.102803D+02  0.712184D+01
      6  -0.204415D+01  0.107446D+02  0.781394D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:40:12 2021, MaxMem=  5368709120 cpu:           23470.8 elap:            2938.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24773 -10.38831 -10.32575 -10.32018 -10.31400
 Alpha  occ. eigenvalues --  -10.30476 -10.30149 -10.30077 -10.29867 -10.29371
 Alpha  occ. eigenvalues --  -10.29239  -1.12918  -0.97146  -0.89910  -0.84740
 Alpha  occ. eigenvalues --   -0.83018  -0.78827  -0.77695  -0.71299  -0.68938
 Alpha  occ. eigenvalues --   -0.62855  -0.61281  -0.57880  -0.56986  -0.56492
 Alpha  occ. eigenvalues --   -0.53940  -0.53216  -0.52027  -0.51096  -0.49896
 Alpha  occ. eigenvalues --   -0.48387  -0.48106  -0.46750  -0.46027  -0.45110
 Alpha  occ. eigenvalues --   -0.44442  -0.42278  -0.40887  -0.40132  -0.38454
 Alpha  occ. eigenvalues --   -0.34679  -0.33507
 Alpha virt. eigenvalues --    0.01100   0.07504   0.09558   0.09763   0.10490
 Alpha virt. eigenvalues --    0.12120   0.12485   0.13010   0.13078   0.14145
 Alpha virt. eigenvalues --    0.14741   0.15355   0.16537   0.16662   0.17770
 Alpha virt. eigenvalues --    0.17881   0.17969   0.19060   0.19340   0.19812
 Alpha virt. eigenvalues --    0.20090   0.20869   0.22016   0.22572   0.22913
 Alpha virt. eigenvalues --    0.23421   0.23902   0.24227   0.25019   0.25422
 Alpha virt. eigenvalues --    0.26520   0.27532   0.27739   0.28193   0.28691
 Alpha virt. eigenvalues --    0.29677   0.29786   0.31048   0.31639   0.32403
 Alpha virt. eigenvalues --    0.33076   0.33377   0.34217   0.34671   0.35609
 Alpha virt. eigenvalues --    0.36266   0.36346   0.37415   0.37648   0.38343
 Alpha virt. eigenvalues --    0.38824   0.39067   0.39592   0.39879   0.40210
 Alpha virt. eigenvalues --    0.40702   0.41098   0.41329   0.41708   0.41949
 Alpha virt. eigenvalues --    0.42318   0.42608   0.43088   0.43553   0.44006
 Alpha virt. eigenvalues --    0.44667   0.44971   0.45204   0.45713   0.46080
 Alpha virt. eigenvalues --    0.46701   0.47479   0.47699   0.48186   0.48724
 Alpha virt. eigenvalues --    0.49171   0.49859   0.50003   0.50286   0.50445
 Alpha virt. eigenvalues --    0.50935   0.51143   0.52677   0.53030   0.53402
 Alpha virt. eigenvalues --    0.54014   0.54133   0.54645   0.54934   0.55440
 Alpha virt. eigenvalues --    0.56164   0.56609   0.57127   0.57971   0.58160
 Alpha virt. eigenvalues --    0.58524   0.58810   0.59448   0.59809   0.59958
 Alpha virt. eigenvalues --    0.60542   0.61604   0.61720   0.62209   0.63259
 Alpha virt. eigenvalues --    0.63835   0.64164   0.64793   0.64964   0.65449
 Alpha virt. eigenvalues --    0.66123   0.66390   0.67254   0.68007   0.68776
 Alpha virt. eigenvalues --    0.69230   0.69590   0.70429   0.70690   0.71324
 Alpha virt. eigenvalues --    0.72108   0.72649   0.73221   0.74713   0.75052
 Alpha virt. eigenvalues --    0.75561   0.76566   0.76769   0.78377   0.78628
 Alpha virt. eigenvalues --    0.79189   0.79998   0.81633   0.81977   0.82584
 Alpha virt. eigenvalues --    0.83224   0.84102   0.84576   0.85832   0.87027
 Alpha virt. eigenvalues --    0.87859   0.88055   0.90329   0.91899   0.92450
 Alpha virt. eigenvalues --    0.96056   0.98710   0.99469   1.00395   1.01575
 Alpha virt. eigenvalues --    1.02923   1.03842   1.05163   1.05745   1.06315
 Alpha virt. eigenvalues --    1.07167   1.07892   1.08253   1.09580   1.09933
 Alpha virt. eigenvalues --    1.10651   1.11646   1.12689   1.13439   1.14342
 Alpha virt. eigenvalues --    1.14655   1.15740   1.16067   1.18107   1.19397
 Alpha virt. eigenvalues --    1.20850   1.24397   1.25136   1.27395   1.27926
 Alpha virt. eigenvalues --    1.28585   1.30476   1.32113   1.32688   1.33890
 Alpha virt. eigenvalues --    1.34441   1.35704   1.36038   1.38257   1.38905
 Alpha virt. eigenvalues --    1.41386   1.42521   1.44223   1.45163   1.46114
 Alpha virt. eigenvalues --    1.46743   1.49469   1.50904   1.52284   1.52883
 Alpha virt. eigenvalues --    1.56396   1.57484   1.60221   1.62259   1.62835
 Alpha virt. eigenvalues --    1.65577   1.66073   1.67047   1.69015   1.70856
 Alpha virt. eigenvalues --    1.71380   1.72174   1.74316   1.74778   1.76020
 Alpha virt. eigenvalues --    1.77483   1.79734   1.81459   1.83106   1.83966
 Alpha virt. eigenvalues --    1.84888   1.86704   1.87717   1.89841   1.91433
 Alpha virt. eigenvalues --    1.91828   1.93262   1.94933   1.95315   1.96824
 Alpha virt. eigenvalues --    1.97743   1.99479   2.01160   2.01843   2.02762
 Alpha virt. eigenvalues --    2.04615   2.07208   2.07879   2.09665   2.10371
 Alpha virt. eigenvalues --    2.11622   2.12938   2.14164   2.14692   2.15244
 Alpha virt. eigenvalues --    2.15723   2.17999   2.19493   2.21254   2.23320
 Alpha virt. eigenvalues --    2.25165   2.26982   2.28101   2.28835   2.30431
 Alpha virt. eigenvalues --    2.31025   2.33541   2.34366   2.35363   2.36147
 Alpha virt. eigenvalues --    2.37650   2.38052   2.39987   2.40921   2.43548
 Alpha virt. eigenvalues --    2.46538   2.48849   2.49789   2.50821   2.52421
 Alpha virt. eigenvalues --    2.53712   2.56132   2.57000   2.60746   2.60958
 Alpha virt. eigenvalues --    2.64338   2.64510   2.66051   2.67742   2.70284
 Alpha virt. eigenvalues --    2.71615   2.73462   2.76072   2.78022   2.79453
 Alpha virt. eigenvalues --    2.81002   2.81971   2.84750   2.87838   2.91534
 Alpha virt. eigenvalues --    2.95322   2.98555   3.00491   3.01426   3.02957
 Alpha virt. eigenvalues --    3.07393   3.09891   3.11909   3.12737   3.14695
 Alpha virt. eigenvalues --    3.17064   3.20622   3.22463   3.23139   3.23738
 Alpha virt. eigenvalues --    3.26113   3.28424   3.29408   3.30112   3.31832
 Alpha virt. eigenvalues --    3.36868   3.47904   3.57022   3.93097
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.039956  -0.551021   0.005786  -0.127279   0.007446   0.002018
     2  C   -0.551021  11.448891  -0.400291   0.097309  -0.003800   0.003422
     3  C    0.005786  -0.400291   6.617889  -0.787299   0.078113   0.028094
     4  C   -0.127279   0.097309  -0.787299   8.476524  -0.189425  -0.032668
     5  C    0.007446  -0.003800   0.078113  -0.189425   8.346868  -0.579858
     6  C    0.002018   0.003422   0.028094  -0.032668  -0.579858   6.022501
     7  O   -0.000313   0.001899  -0.007315   0.066903  -0.090649   0.327731
     8  C   -0.208450  -0.718254  -0.058811   0.001930  -0.007859   0.000095
     9  C    0.045290  -0.338867   0.001705  -0.011819  -0.010032   0.000995
    10  C   -0.053910   0.057053  -0.083017   0.041955  -0.047511   0.007587
    11  C   -0.000931   0.002390   0.015966  -0.054009   0.004175   0.532624
    12  H    0.072939  -0.084612   0.091656  -0.007861   0.007291   0.000040
    13  H   -0.108338  -0.015764   0.016258  -0.010057   0.001219  -0.000033
    14  H    0.066265  -0.060388   0.123305  -0.138876   0.032798   0.000171
    15  H    0.020376   0.054359   0.106318  -0.111620   0.029223   0.000876
    16  H   -0.014396  -0.025553   0.067630   0.036829  -0.029580   0.002913
    17  H   -0.066788   0.200073  -0.022096   0.044215   0.005388  -0.000835
    18  H    0.258547   0.240108  -0.076157  -0.030516  -0.008480  -0.005622
    19  H   -0.010212   0.198847   0.017053  -0.004791   0.002238   0.000518
    20  H    0.001480  -0.049779  -0.050016   0.004117  -0.001457   0.000030
    21  H    0.012738   0.209679   0.039887  -0.012171  -0.000325   0.000421
    22  H    0.030744   0.219607   0.015908   0.001460   0.000104   0.000016
    23  H    0.058479  -0.095478  -0.169711  -0.703158  -0.573021  -0.111595
    24  H    0.009648  -0.033878   0.066505  -0.523999  -0.194870  -0.297975
    25  H   -0.000129   0.000123  -0.000224   0.006474  -0.053554   0.096069
    26  H    0.000055   0.000012  -0.000276   0.029828   0.036222   0.122505
    27  H    0.000793   0.000541   0.001704  -0.002530  -0.028620   0.064863
               7          8          9         10         11         12
     1  C   -0.000313  -0.208450   0.045290  -0.053910  -0.000931   0.072939
     2  C    0.001899  -0.718254  -0.338867   0.057053   0.002390  -0.084612
     3  C   -0.007315  -0.058811   0.001705  -0.083017   0.015966   0.091656
     4  C    0.066903   0.001930  -0.011819   0.041955  -0.054009  -0.007861
     5  C   -0.090649  -0.007859  -0.010032  -0.047511   0.004175   0.007291
     6  C    0.327731   0.000095   0.000995   0.007587   0.532624   0.000040
     7  O    8.184575   0.000032  -0.000136   0.001697  -0.032874  -0.000016
     8  C    0.000032   5.572626  -0.115229   0.039501   0.000165  -0.078784
     9  C   -0.000136  -0.115229   4.899031   0.169584   0.000066   0.212733
    10  C    0.001697   0.039501   0.169584   5.031676   0.000745  -0.141840
    11  C   -0.032874   0.000165   0.000066   0.000745   4.364277  -0.000006
    12  H   -0.000016  -0.078784   0.212733  -0.141840  -0.000006   1.261736
    13  H   -0.000009   0.094142   0.097798   0.131324   0.000008  -0.401515
    14  H   -0.001090  -0.090208   0.141768  -0.244167  -0.000550   0.049455
    15  H    0.000409  -0.008075   0.010761   0.012386   0.000379   0.097210
    16  H   -0.000099  -0.002967  -0.048226   0.364314   0.000015  -0.169502
    17  H   -0.000114  -0.005045   0.005340   0.000485  -0.000982  -0.001324
    18  H    0.000190  -0.001027  -0.033873   0.009386   0.000034   0.002409
    19  H   -0.000071   0.028295   0.007473  -0.004390   0.000094  -0.004958
    20  H    0.000002   0.481207  -0.023772   0.017315  -0.000009  -0.004431
    21  H   -0.000033  -0.019541   0.004541  -0.006747  -0.000137   0.000154
    22  H   -0.000001  -0.039501   0.029815  -0.007976  -0.000005  -0.002449
    23  H    0.010763  -0.028171   0.003417  -0.000331  -0.065650   0.003470
    24  H   -0.035342  -0.001830  -0.001450   0.004502  -0.005182   0.002221
    25  H    0.004391  -0.000000   0.000026   0.000248   0.235393   0.000000
    26  H   -0.023118  -0.000015  -0.000005  -0.000021   0.323139   0.000000
    27  H    0.007877   0.000036   0.000039   0.000059   0.231103   0.000002
              13         14         15         16         17         18
     1  C   -0.108338   0.066265   0.020376  -0.014396  -0.066788   0.258547
     2  C   -0.015764  -0.060388   0.054359  -0.025553   0.200073   0.240108
     3  C    0.016258   0.123305   0.106318   0.067630  -0.022096  -0.076157
     4  C   -0.010057  -0.138876  -0.111620   0.036829   0.044215  -0.030516
     5  C    0.001219   0.032798   0.029223  -0.029580   0.005388  -0.008480
     6  C   -0.000033   0.000171   0.000876   0.002913  -0.000835  -0.005622
     7  O   -0.000009  -0.001090   0.000409  -0.000099  -0.000114   0.000190
     8  C    0.094142  -0.090208  -0.008075  -0.002967  -0.005045  -0.001027
     9  C    0.097798   0.141768   0.010761  -0.048226   0.005340  -0.033873
    10  C    0.131324  -0.244167   0.012386   0.364314   0.000485   0.009386
    11  C    0.000008  -0.000550   0.000379   0.000015  -0.000982   0.000034
    12  H   -0.401515   0.049455   0.097210  -0.169502  -0.001324   0.002409
    13  H    1.585424  -0.026454  -0.180561   0.095140  -0.001772  -0.015944
    14  H   -0.026454   1.418273   0.081768  -0.129156  -0.008272  -0.000394
    15  H   -0.180561   0.081768   1.167454  -0.313100  -0.004631   0.012050
    16  H    0.095140  -0.129156  -0.313100   1.673097   0.001114  -0.004578
    17  H   -0.001772  -0.008272  -0.004631   0.001114   0.757957   0.002742
    18  H   -0.015944  -0.000394   0.012050  -0.004578   0.002742   0.783098
    19  H    0.024718  -0.001516   0.005845   0.001872  -0.131433  -0.113018
    20  H    0.003751  -0.016475  -0.000047   0.001374  -0.000249  -0.001629
    21  H   -0.000050   0.000458  -0.000115   0.000258   0.021448  -0.002413
    22  H   -0.003383   0.004857  -0.000303   0.000063  -0.014442  -0.002856
    23  H   -0.000158  -0.089869  -0.009769  -0.011091   0.001734   0.019059
    24  H   -0.001784  -0.005511   0.026809  -0.035347   0.002074   0.007409
    25  H    0.000000  -0.000379  -0.000000   0.000025  -0.000016  -0.000075
    26  H   -0.000000   0.000015  -0.000006  -0.000003  -0.000028   0.000022
    27  H    0.000001   0.000333   0.000020   0.000005  -0.000328  -0.000328
              19         20         21         22         23         24
     1  C   -0.010212   0.001480   0.012738   0.030744   0.058479   0.009648
     2  C    0.198847  -0.049779   0.209679   0.219607  -0.095478  -0.033878
     3  C    0.017053  -0.050016   0.039887   0.015908  -0.169711   0.066505
     4  C   -0.004791   0.004117  -0.012171   0.001460  -0.703158  -0.523999
     5  C    0.002238  -0.001457  -0.000325   0.000104  -0.573021  -0.194870
     6  C    0.000518   0.000030   0.000421   0.000016  -0.111595  -0.297975
     7  O   -0.000071   0.000002  -0.000033  -0.000001   0.010763  -0.035342
     8  C    0.028295   0.481207  -0.019541  -0.039501  -0.028171  -0.001830
     9  C    0.007473  -0.023772   0.004541   0.029815   0.003417  -0.001450
    10  C   -0.004390   0.017315  -0.006747  -0.007976  -0.000331   0.004502
    11  C    0.000094  -0.000009  -0.000137  -0.000005  -0.065650  -0.005182
    12  H   -0.004958  -0.004431   0.000154  -0.002449   0.003470   0.002221
    13  H    0.024718   0.003751  -0.000050  -0.003383  -0.000158  -0.001784
    14  H   -0.001516  -0.016475   0.000458   0.004857  -0.089869  -0.005511
    15  H    0.005845  -0.000047  -0.000115  -0.000303  -0.009769   0.026809
    16  H    0.001872   0.001374   0.000258   0.000063  -0.011091  -0.035347
    17  H   -0.131433  -0.000249   0.021448  -0.014442   0.001734   0.002074
    18  H   -0.113018  -0.001629  -0.002413  -0.002856   0.019059   0.007409
    19  H    0.886571   0.002576  -0.014493   0.015493  -0.000583  -0.000202
    20  H    0.002576   0.733585  -0.056984  -0.068924  -0.003434  -0.000155
    21  H   -0.014493  -0.056984   0.661529  -0.002778  -0.007761   0.000062
    22  H    0.015493  -0.068924  -0.002778   0.710473   0.001579   0.000004
    23  H   -0.000583  -0.003434  -0.007761   0.001579   2.254988   0.231775
    24  H   -0.000202  -0.000155   0.000062   0.000004   0.231775   1.525569
    25  H    0.000010  -0.000002   0.000027   0.000000  -0.020580  -0.007988
    26  H   -0.000003  -0.000000   0.000003   0.000000   0.016089   0.007833
    27  H    0.000033  -0.000007   0.000098  -0.000008  -0.012122  -0.007392
              25         26         27
     1  C   -0.000129   0.000055   0.000793
     2  C    0.000123   0.000012   0.000541
     3  C   -0.000224  -0.000276   0.001704
     4  C    0.006474   0.029828  -0.002530
     5  C   -0.053554   0.036222  -0.028620
     6  C    0.096069   0.122505   0.064863
     7  O    0.004391  -0.023118   0.007877
     8  C   -0.000000  -0.000015   0.000036
     9  C    0.000026  -0.000005   0.000039
    10  C    0.000248  -0.000021   0.000059
    11  C    0.235393   0.323139   0.231103
    12  H    0.000000   0.000000   0.000002
    13  H    0.000000  -0.000000   0.000001
    14  H   -0.000379   0.000015   0.000333
    15  H   -0.000000  -0.000006   0.000020
    16  H    0.000025  -0.000003   0.000005
    17  H   -0.000016  -0.000028  -0.000328
    18  H   -0.000075   0.000022  -0.000328
    19  H    0.000010  -0.000003   0.000033
    20  H   -0.000002  -0.000000  -0.000007
    21  H    0.000027   0.000003   0.000098
    22  H    0.000000   0.000000  -0.000008
    23  H   -0.020580   0.016089  -0.012122
    24  H   -0.007988   0.007833  -0.007392
    25  H    0.517352  -0.038726   0.039591
    26  H   -0.038726   0.824165  -0.036492
    27  H    0.039591  -0.036492   0.497181
 Mulliken charges:
               1
     1  C    1.509208
     2  C   -4.356630
     3  C    0.361434
     4  C   -0.059469
     5  C   -0.732048
     6  C   -0.184899
     7  O   -0.415287
     8  C    1.165736
     9  C    0.953028
    10  C    0.700095
    11  C    0.449760
    12  H    0.095981
    13  H   -0.283963
    14  H   -0.106161
    15  H    0.001987
    16  H   -0.461051
    17  H    0.215785
    18  H   -0.038143
    19  H    0.094033
    20  H    0.031936
    21  H    0.172247
    22  H    0.112505
    23  H    0.301128
    24  H    0.268494
    25  H    0.221942
    26  H   -0.261193
    27  H    0.243546
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.780882
     2  C   -4.356630
     3  C    0.255272
     4  C    0.241659
     5  C   -0.463554
     6  C   -0.184899
     7  O   -0.415287
     8  C    1.482423
     9  C    0.765047
    10  C    0.241031
    11  C    0.654056
 Electronic spatial extent (au):  <R**2>=           2424.6683
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5584    Y=              2.1119    Z=             -1.1667  Tot=              4.2992
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.1141   YY=            -68.5393   ZZ=            -68.6288
   XY=              8.4944   XZ=             -3.5230   YZ=              0.3749
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.0200   YY=              4.5548   ZZ=              4.4652
   XY=              8.4944   XZ=             -3.5230   YZ=              0.3749
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -56.1388  YYY=             -0.3516  ZZZ=             -0.4877  XYY=              1.5473
  XXY=             31.7447  XXZ=            -14.4245  XZZ=             -0.5525  YZZ=             -0.5097
  YYZ=             -0.3519  XYZ=              1.6278
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2673.7371 YYYY=           -564.6410 ZZZZ=           -297.0673 XXXY=            117.9950
 XXXZ=            -57.8786 YYYX=              3.0325 YYYZ=              1.5429 ZZZX=              5.2974
 ZZZY=             -4.0590 XXYY=           -516.6305 XXZZ=           -448.4035 YYZZ=           -142.3517
 XXYZ=             17.5517 YYXZ=             -1.6753 ZZXY=              4.3731
 N-N= 6.118061653967D+02 E-N=-2.301376862266D+03  KE= 4.599898328581D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:40:13 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.4362   -3.4360       -3.2081   -3.2089
 2      3.4362    3.4360        1.5510    1.5511      -22.9673  -22.9602
 3      3.2081    3.2089       31.5566   31.5492       -1.5497   -1.5511
 4     -1.5510   -1.5511        0.0000    0.0000        3.2099    3.2089
 5     -8.5892   -8.5890       -3.2099   -3.2089       -3.4366   -3.4360
 6      1.5497    1.5511        3.4366    3.4360        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       10.3081   10.3081       -9.6267   -9.6267
 2     -4.6534   -4.6534        0.0000    0.0000       -9.6267   -9.6267
 3     -4.6534   -4.6534       10.3081   10.3081       -0.0000    0.0000
 4     10.3081   10.3081        4.6534    4.6534      -68.8807  -68.8807
 5      9.6267    9.6267       94.6476   94.6476       -4.6534   -4.6534
 6    -25.7669  -25.7669       -9.6267   -9.6267      -10.3081  -10.3081
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4333    0.0000       13.7153   13.7442       13.2174   12.8356
 2    -13.8574  -13.7442       -6.4676   -6.2045       91.3395   91.8410
 3    -12.4789  -12.8356     -126.4208 -126.1968        6.1388    6.2045
 4      6.4680    6.2045        0.0266    0.0000      -12.8165  -12.8356
 5     34.2650   34.3558       12.8485   12.8356       13.5864   13.7442
 6     -6.1173   -6.2045      -13.7033  -13.7442       -0.0596    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1360    0.0000      -10.6371  -10.2827      -39.5100  -39.8304
 2     10.0533   10.2827      -15.3579  -14.3058       33.5085   33.2851
 3     38.8424   39.8304       19.0072   19.0384       13.2041   14.3058
 4     14.1008   14.3058        0.2276    0.0000       39.5267   39.8304
 5    -52.4222  -52.3235      -39.1565  -39.8304       -9.7631  -10.2827
 6    -14.3799  -14.3058       10.4825   10.2827        0.3095    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     31.7756   31.8813       28.2419   27.9661       35.2832   35.0248
 2     49.8643   49.9863       19.0443   18.9547       34.8876   35.0248
 3     49.7041   49.9863       28.2909   27.9661       52.6561   52.7277
 4      8.5340    9.0113      -18.5261  -18.1049       49.2955   49.2509
 5     17.5696   17.7028       37.9379   37.5315       18.0057   18.1049
 6    -87.1059  -86.7824      -16.9234  -17.7028       -8.3676   -9.0113
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.5908                 0.7876                 0.1669
  Dep-P Fr= 1--      0.7499                 0.6371                 0.7446
  Dep-U Fr= 1--      0.8571                 0.7783                 0.8536
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0000
 Beta2  Fr= 1--      0.2272                 0.1022                 0.0237
 AlphaG Fr= 1--     -0.0002                -0.0100                -0.0000
 Gamma2 Fr= 1--      0.8691                 0.2006                -0.0888
 Delta2 Fr= 1--      0.4906                 0.2289                -0.0780
 Raman1 Fr= 1--       6.363                  3.151                  0.668
 ROA1   Fr= 1--      99.128                 26.580                -11.024
 CID1   Fr= 1--      15.578                  8.437                -16.513
 Raman2 Fr= 1--       2.727                  1.226                  0.285
 ROA2   Fr= 1--      16.933                  2.983                 -1.508
 CID2   Fr= 1--       6.210                  2.433                 -5.291
 Raman3 Fr= 1--       5.454                  2.452                  0.570
 ROA3   Fr= 1--      99.128                 26.580                -11.024
 CID3   Fr= 1--      18.176                 10.839                -19.345
 RC180  Fr= 1--       0.714                  0.557                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.0807                 0.6147                 0.5825
  Dep-P Fr= 1--      0.7351                 0.7087                 0.7007
  Dep-U Fr= 1--      0.8474                 0.8296                 0.8240
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0005
 Beta2  Fr= 1--      0.0114                 0.0850                 0.0800
 AlphaG Fr= 1--     -0.0002                -0.0093                 0.0015
 Gamma2 Fr= 1--      0.0104                -0.4839                 0.5255
 Delta2 Fr= 1--      0.0390                -0.0813                -0.0595
 Raman1 Fr= 1--       0.323                  2.459                  2.330
 ROA1   Fr= 1--       2.250                -49.055                 48.545
 CID1   Fr= 1--       6.971                -19.949                 20.834
 Raman2 Fr= 1--       0.137                  1.020                  0.960
 ROA2   Fr= 1--      -0.062                -10.963                 13.088
 CID2   Fr= 1--      -0.450                -10.749                 13.633
 Raman3 Fr= 1--       0.274                  2.040                  1.920
 ROA3   Fr= 1--       2.250                -49.055                 48.545
 CID3   Fr= 1--       8.226                -24.048                 25.283
 RC180  Fr= 1--       0.695                  0.659                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.5888                 1.9638                 1.7649
  Dep-P Fr= 1--      0.6850                 0.2043                 0.2332
  Dep-U Fr= 1--      0.8131                 0.3392                 0.3782
 Alpha2 Fr= 1--      0.0007                 0.0264                 0.0219
 Beta2  Fr= 1--      0.0798                 0.1110                 0.1112
 AlphaG Fr= 1--      0.0039                 0.0025                 0.0138
 Gamma2 Fr= 1--     -0.0765                 0.2312                -0.1748
 Delta2 Fr= 1--     -0.0177                 0.1161                 0.1787
 Raman1 Fr= 1--       2.355                  7.855                  7.060
 ROA1   Fr= 1--      -7.906                 25.910                -11.065
 CID1   Fr= 1--      -3.357                  3.299                 -1.567
 Raman2 Fr= 1--       0.957                  1.332                  1.335
 ROA2   Fr= 1--      -1.694                  4.620                 -5.625
 CID2   Fr= 1--      -1.769                  3.468                 -4.214
 Raman3 Fr= 1--       1.915                  2.665                  2.670
 ROA3   Fr= 1--      -7.906                 25.910                -11.065
 CID3   Fr= 1--      -4.128                  9.723                 -4.145
 RC180  Fr= 1--       0.626                 -0.322                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.0410                 1.2210                 1.3068
  Dep-P Fr= 1--      0.1781                 0.2695                 0.4967
  Dep-U Fr= 1--      0.3023                 0.4245                 0.6638
 Alpha2 Fr= 1--      0.0150                 0.0137                 0.0066
 Beta2  Fr= 1--      0.0525                 0.0864                 0.1446
 AlphaG Fr= 1--      0.0292                 0.0381                -0.0213
 Gamma2 Fr= 1--      0.6383                -0.8416                 0.1128
 Delta2 Fr= 1--      0.2220                -0.1052                 0.0888
 Raman1 Fr= 1--       4.164                  4.884                  5.227
 ROA1   Fr= 1--      68.381                -84.161                 13.666
 CID1   Fr= 1--      16.422                -17.232                  2.614
 Raman2 Fr= 1--       0.629                  1.037                  1.735
 ROA2   Fr= 1--      13.544                -19.357                  1.996
 CID2   Fr= 1--      21.517                -18.672                  1.151
 Raman3 Fr= 1--       1.259                  2.073                  3.470
 ROA3   Fr= 1--      68.381                -84.161                 13.666
 CID3   Fr= 1--      54.319                -40.592                  3.939
 RC180  Fr= 1--      -0.395                 -0.151                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3360                 1.4851                 0.3765
  Dep-P Fr= 1--      0.7475                 0.2796                 0.3190
  Dep-U Fr= 1--      0.8555                 0.4370                 0.4837
 Alpha2 Fr= 1--      0.0000                 0.0162                 0.0036
 Beta2  Fr= 1--      0.0479                 0.1082                 0.0303
 AlphaG Fr= 1--     -0.0006                 0.0480                -0.0119
 Gamma2 Fr= 1--      0.2280                -0.1191                 0.3454
 Delta2 Fr= 1--      0.1084                -0.3907                -0.0451
 Raman1 Fr= 1--       1.344                  5.940                  1.506
 ROA1   Fr= 1--      25.353                -23.934                 31.714
 CID1   Fr= 1--      18.865                 -4.029                 21.060
 Raman2 Fr= 1--       0.575                  1.298                  0.364
 ROA2   Fr= 1--       4.603                  0.267                  8.650
 CID2   Fr= 1--       8.008                  0.206                 23.751
 Raman3 Fr= 1--       1.150                  2.596                  0.728
 ROA3   Fr= 1--      25.353                -23.934                 31.714
 CID3   Fr= 1--      22.052                 -9.220                 43.540
 RC180  Fr= 1--       0.711                 -0.126                 -0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.0589                 3.1592                 9.0958
  Dep-P Fr= 1--      0.5236                 0.0627                 0.1112
  Dep-U Fr= 1--      0.6873                 0.1180                 0.2001
 Alpha2 Fr= 1--      0.0047                 0.0605                 0.1549
 Beta2  Fr= 1--      0.1213                 0.0621                 0.3033
 AlphaG Fr= 1--     -0.0015                 0.1100                 0.0529
 Gamma2 Fr= 1--      0.3673                -0.0209                -0.0474
 Delta2 Fr= 1--     -0.0871                 0.1833                 0.3299
 Raman1 Fr= 1--       4.236                 12.637                 36.383
 ROA1   Fr= 1--      32.474                  3.859                  6.006
 CID1   Fr= 1--       7.667                  0.305                  0.165
 Raman2 Fr= 1--       1.456                  0.745                  3.640
 ROA2   Fr= 1--       9.512                 -1.968                 -3.777
 CID2   Fr= 1--       6.535                 -2.641                 -1.038
 Raman3 Fr= 1--       2.911                  1.491                  7.280
 ROA3   Fr= 1--      32.474                  3.859                  6.006
 CID3   Fr= 1--      11.155                  2.589                  0.825
 RC180  Fr= 1--       0.375                 -0.764                 -0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      3.7151                 5.6134                 2.8265
  Dep-P Fr= 1--      0.0634                 0.0086                 0.0883
  Dep-U Fr= 1--      0.1192                 0.0171                 0.1622
 Alpha2 Fr= 1--      0.0711                 0.1223                 0.0509
 Beta2  Fr= 1--      0.0738                 0.0160                 0.0764
 AlphaG Fr= 1--     -0.2589                -0.1111                -0.1224
 Gamma2 Fr= 1--     -1.0294                 0.2964                -0.2590
 Delta2 Fr= 1--      0.3161                 0.0516                -0.0515
 Raman1 Fr= 1--      14.860                 22.454                 11.306
 ROA1   Fr= 1--     -88.709                 30.108                -26.514
 CID1   Fr= 1--      -5.969                  1.341                 -2.345
 Raman2 Fr= 1--       0.886                  0.192                  0.917
 ROA2   Fr= 1--     -27.235                  6.701                 -5.804
 CID2   Fr= 1--     -30.739                 34.950                 -6.330
 Raman3 Fr= 1--       1.772                  0.383                  1.834
 ROA3   Fr= 1--     -88.709                 30.108                -26.514
 CID3   Fr= 1--     -50.061                 78.512                -14.457
 RC180  Fr= 1--      -0.762                 -0.966                 -0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     14.2141                10.9903                13.0833
  Dep-P Fr= 1--      0.5549                 0.5856                 0.6363
  Dep-U Fr= 1--      0.7138                 0.7386                 0.7777
 Alpha2 Fr= 1--      0.0528                 0.0338                 0.0269
 Beta2  Fr= 1--      1.6909                 1.3529                 1.6959
 AlphaG Fr= 1--     -0.0394                -0.2818                 0.2903
 Gamma2 Fr= 1--     -1.1424                -7.6798                 6.5355
 Delta2 Fr= 1--     -0.2203                -0.0454                 0.1827
 Raman1 Fr= 1--      56.857                 43.961                 52.333
 ROA1   Fr= 1--    -116.715               -738.709                633.253
 CID1   Fr= 1--      -2.053                -16.804                 12.100
 Raman2 Fr= 1--      20.291                 16.235                 20.351
 ROA2   Fr= 1--     -25.654               -183.951                155.390
 CID2   Fr= 1--      -1.264                -11.330                  7.636
 Raman3 Fr= 1--      40.583                 32.470                 40.702
 ROA3   Fr= 1--    -116.715               -738.709                633.253
 CID3   Fr= 1--      -2.876                -22.750                 15.558
 RC180  Fr= 1--       0.428                  0.477                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     10.4074                 1.5497                14.0211
  Dep-P Fr= 1--      0.4418                 0.6679                 0.4618
  Dep-U Fr= 1--      0.6128                 0.8009                 0.6318
 Alpha2 Fr= 1--      0.0659                 0.0023                 0.0819
 Beta2  Fr= 1--      1.0630                 0.2069                 1.4764
 AlphaG Fr= 1--      0.2286                -0.0169                 0.1500
 Gamma2 Fr= 1--      1.7680                 2.4814                 2.9038
 Delta2 Fr= 1--     -1.1701                 0.6303                 0.8304
 Raman1 Fr= 1--      41.630                  6.199                 56.084
 ROA1   Fr= 1--     132.285                258.389                305.342
 CID1   Fr= 1--       3.178                 41.683                  5.444
 Raman2 Fr= 1--      12.756                  2.482                 17.717
 ROA2   Fr= 1--      51.793                 54.512                 63.049
 CID2   Fr= 1--       4.060                 21.960                  3.559
 Raman3 Fr= 1--      25.512                  4.965                 35.435
 ROA3   Fr= 1--     132.285                258.389                305.342
 CID3   Fr= 1--       5.185                 52.045                  8.617
 RC180  Fr= 1--       0.226                  0.602                  0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     15.7877                27.6899                 5.5971
  Dep-P Fr= 1--      0.2843                 0.2969                 0.5115
  Dep-U Fr= 1--      0.4427                 0.4579                 0.6768
 Alpha2 Fr= 1--      0.1696                 0.2866                 0.0262
 Beta2  Fr= 1--      1.1648                 2.1130                 0.6313
 AlphaG Fr= 1--      0.0517                 0.4517                -0.0572
 Gamma2 Fr= 1--     -0.5776                 5.6791                 0.0611
 Delta2 Fr= 1--     -0.7646                 0.4845                 0.1049
 Raman1 Fr= 1--      63.151                110.760                 22.388
 ROA1   Fr= 1--     -79.912                560.698                  9.224
 CID1   Fr= 1--      -1.265                  5.062                  0.412
 Raman2 Fr= 1--      13.978                 25.356                  7.576
 ROA2   Fr= 1--      -7.745                132.422                  0.627
 CID2   Fr= 1--      -0.554                  5.223                  0.083
 Raman3 Fr= 1--      27.956                 50.712                 15.152
 ROA3   Fr= 1--     -79.912                560.698                  9.224
 CID3   Fr= 1--      -2.859                 11.057                  0.609
 RC180  Fr= 1--      -0.115                 -0.084                  0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.9118                 5.4239                 1.1142
  Dep-P Fr= 1--      0.5668                 0.2592                 0.6198
  Dep-U Fr= 1--      0.7235                 0.4117                 0.7653
 Alpha2 Fr= 1--      0.0274                 0.0626                 0.0027
 Beta2  Fr= 1--      0.9541                 0.3722                 0.1421
 AlphaG Fr= 1--     -0.3681                 0.6306                 0.0043
 Gamma2 Fr= 1--     -1.8109                 3.5617                 0.1164
 Delta2 Fr= 1--      1.0751                -0.1555                -0.1417
 Raman1 Fr= 1--      31.647                 21.695                  4.457
 ROA1   Fr= 1--    -139.443                336.947                  6.644
 CID1   Fr= 1--      -4.406                 15.531                  1.491
 Raman2 Fr= 1--      11.449                  4.467                  1.705
 ROA2   Fr= 1--     -52.062                 86.724                  3.928
 CID2   Fr= 1--      -4.547                 19.416                  2.303
 Raman3 Fr= 1--      22.898                  8.933                  3.411
 ROA3   Fr= 1--    -139.443                336.947                  6.644
 CID3   Fr= 1--      -6.090                 37.719                  1.948
 RC180  Fr= 1--       0.447                 -0.177                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--      9.1945                11.9203                70.2765
  Dep-P Fr= 1--      0.3313                 0.1618                 0.3619
  Dep-U Fr= 1--      0.4977                 0.2786                 0.5315
 Alpha2 Fr= 1--      0.0857                 0.1788                 0.5934
 Beta2  Fr= 1--      0.7627                 0.5534                 6.2249
 AlphaG Fr= 1--     -0.1268                 0.1264                 0.8035
 Gamma2 Fr= 1--      0.2512                -1.2854                 7.2915
 Delta2 Fr= 1--      1.2105                -0.4817                 0.2002
 Raman1 Fr= 1--      36.778                 47.681                281.106
 ROA1   Fr= 1--      62.853               -138.811                706.392
 CID1   Fr= 1--       1.709                 -2.911                  2.513
 Raman2 Fr= 1--       9.153                  6.641                 74.698
 ROA2   Fr= 1--      -3.655                -26.996                173.395
 CID2   Fr= 1--      -0.399                 -4.065                  2.321
 Raman3 Fr= 1--      18.305                 13.283                149.396
 ROA3   Fr= 1--      62.853               -138.811                706.392
 CID3   Fr= 1--       3.434                -10.450                  4.728
 RC180  Fr= 1--      -0.005                 -0.443                  0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.6509                13.1880                15.6333
  Dep-P Fr= 1--      0.7413                 0.4842                 0.3003
  Dep-U Fr= 1--      0.8514                 0.6524                 0.4619
 Alpha2 Fr= 1--      0.0002                 0.0700                 0.1602
 Beta2  Fr= 1--      0.2343                 1.4340                 1.2036
 AlphaG Fr= 1--      0.0096                 0.0816                 0.1684
 Gamma2 Fr= 1--      0.2394                -1.9326                 0.7313
 Delta2 Fr= 1--      0.0789                -0.3955                -2.4665
 Raman1 Fr= 1--       6.604                 52.752                 62.533
 ROA1   Fr= 1--      25.510               -198.191                 -8.722
 CID1   Fr= 1--       3.863                 -3.757                 -0.139
 Raman2 Fr= 1--       2.811                 17.209                 14.443
 ROA2   Fr= 1--       5.115                -43.219                 37.284
 CID2   Fr= 1--       1.820                 -2.511                  2.581
 Raman3 Fr= 1--       5.622                 34.417                 28.886
 ROA3   Fr= 1--      25.510               -198.191                 -8.722
 CID3   Fr= 1--       4.537                 -5.758                 -0.302
 RC180  Fr= 1--       0.703                  0.305                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     17.3071                11.2042                14.7085
  Dep-P Fr= 1--      0.2968                 0.4558                 0.2167
  Dep-U Fr= 1--      0.4578                 0.6262                 0.3561
 Alpha2 Fr= 1--      0.1792                 0.0671                 0.1910
 Beta2  Fr= 1--      1.3205                 1.1693                 0.8731
 AlphaG Fr= 1--      0.0073                 0.0150                 0.0443
 Gamma2 Fr= 1--      3.8965                 0.6628                 1.3707
 Delta2 Fr= 1--      2.4907                -0.3315                 0.3882
 Raman1 Fr= 1--      69.228                 44.817                 58.834
 ROA1   Fr= 1--     453.767                 53.025                144.010
 CID1   Fr= 1--       6.555                  1.183                  2.448
 Raman2 Fr= 1--      15.846                 14.032                 10.477
 ROA2   Fr= 1--      73.591                 18.560                 29.791
 CID2   Fr= 1--       4.644                  1.323                  2.844
 Raman3 Fr= 1--      31.692                 28.064                 20.954
 ROA3   Fr= 1--     453.767                 53.025                144.010
 CID3   Fr= 1--      14.318                  1.889                  6.873
 RC180  Fr= 1--      -0.084                  0.252                 -0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     23.1481                20.8903                14.1932
  Dep-P Fr= 1--      0.1930                 0.2451                 0.2772
  Dep-U Fr= 1--      0.3236                 0.3937                 0.4341
 Alpha2 Fr= 1--      0.3202                 0.2510                 0.1557
 Beta2  Fr= 1--      1.2485                 1.3706                 1.0269
 AlphaG Fr= 1--      0.0234                 0.1510                -0.0891
 Gamma2 Fr= 1--     -0.4815                 6.3566                -1.2744
 Delta2 Fr= 1--      0.0109                 3.4806                -1.8541
 Raman1 Fr= 1--      92.592                 83.561                 56.773
 ROA1   Fr= 1--     -45.870                721.613               -181.675
 CID1   Fr= 1--      -0.495                  8.636                 -3.200
 Raman2 Fr= 1--      14.983                 16.448                 12.323
 ROA2   Fr= 1--     -11.642                124.714                -15.752
 CID2   Fr= 1--      -0.777                  7.582                 -1.278
 Raman3 Fr= 1--      29.965                 32.895                 24.646
 ROA3   Fr= 1--     -45.870                721.613               -181.675
 CID3   Fr= 1--      -1.531                 21.937                 -7.371
 RC180  Fr= 1--      -0.353                 -0.213                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     31.6205                 1.2655                 1.6319
  Dep-P Fr= 1--      0.3358                 0.6887                 0.2909
  Dep-U Fr= 1--      0.5027                 0.8156                 0.4507
 Alpha2 Fr= 1--      0.2905                 0.0014                 0.0172
 Beta2  Fr= 1--      2.6495                 0.1720                 0.1226
 AlphaG Fr= 1--      0.1395                 0.0018                 0.0032
 Gamma2 Fr= 1--      2.3936                 0.3894                 0.2463
 Delta2 Fr= 1--     -0.1586                -0.1059                 0.1845
 Raman1 Fr= 1--     126.482                  5.062                  6.528
 ROA1   Fr= 1--     224.705                 33.992                 29.546
 CID1   Fr= 1--       1.777                  6.715                  4.526
 Raman2 Fr= 1--      31.794                  2.064                  1.471
 ROA2   Fr= 1--      58.714                 10.193                  4.435
 CID2   Fr= 1--       1.847                  4.938                  3.015
 Raman3 Fr= 1--      63.587                  4.129                  2.942
 ROA3   Fr= 1--     224.705                 33.992                 29.546
 CID3   Fr= 1--       3.534                  8.233                 10.044
 RC180  Fr= 1--       0.005                  0.631                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.1745                 3.6284                 4.1375
  Dep-P Fr= 1--      0.7054                 0.7475                 0.7494
  Dep-U Fr= 1--      0.8273                 0.8555                 0.8568
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1619                 0.5173                 0.5908
 AlphaG Fr= 1--      0.0051                 0.0021                 0.0021
 Gamma2 Fr= 1--      0.1039                 0.1415                -0.2795
 Delta2 Fr= 1--     -0.0996                 0.0024                -0.0145
 Raman1 Fr= 1--       4.698                 14.514                 16.550
 ROA1   Fr= 1--       6.788                 13.657                -27.295
 CID1   Fr= 1--       1.445                  0.941                 -1.649
 Raman2 Fr= 1--       1.943                  6.208                  7.090
 ROA2   Fr= 1--       3.291                  3.376                 -6.591
 CID2   Fr= 1--       1.693                  0.544                 -0.930
 Raman3 Fr= 1--       3.886                 12.416                 14.179
 ROA3   Fr= 1--       6.788                 13.657                -27.295
 CID3   Fr= 1--       1.747                  1.100                 -1.925
 RC180  Fr= 1--       0.655                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      3.4992                 8.1470                 4.1614
  Dep-P Fr= 1--      0.7467                 0.7239                 0.6614
  Dep-U Fr= 1--      0.8550                 0.8399                 0.7962
 Alpha2 Fr= 1--      0.0002                 0.0036                 0.0066
 Beta2  Fr= 1--      0.4986                 1.1404                 0.5522
 AlphaG Fr= 1--     -0.0002                -0.0004                 0.0230
 Gamma2 Fr= 1--      1.8946                -1.5048                -0.4043
 Delta2 Fr= 1--      0.3174                -0.4384                 0.7202
 Raman1 Fr= 1--      13.997                 32.588                 16.645
 ROA1   Fr= 1--     192.037               -158.492                -15.764
 CID1   Fr= 1--      13.720                 -4.864                 -0.947
 Raman2 Fr= 1--       5.984                 13.685                  6.627
 ROA2   Fr= 1--      42.930                -32.609                -15.465
 CID2   Fr= 1--       7.175                 -2.383                 -2.334
 Raman3 Fr= 1--      11.967                 27.370                 13.253
 ROA3   Fr= 1--     192.037               -158.492                -15.764
 CID3   Fr= 1--      16.047                 -5.791                 -1.189
 RC180  Fr= 1--       0.710                  0.680                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--      9.1660                 2.8357                 1.0033
  Dep-P Fr= 1--      0.4919                 0.7434                 0.6996
  Dep-U Fr= 1--      0.6594                 0.8528                 0.8232
 Alpha2 Fr= 1--      0.0470                 0.0003                 0.0009
 Beta2  Fr= 1--      1.0073                 0.4031                 0.1377
 AlphaG Fr= 1--      0.0271                -0.0058                 0.0018
 Gamma2 Fr= 1--      0.1865                 0.7272                 0.0919
 Delta2 Fr= 1--     -1.0627                -0.7653                 0.1721
 Raman1 Fr= 1--      36.664                 11.343                  4.013
 ROA1   Fr= 1--     -16.105                 45.319                 14.329
 CID1   Fr= 1--      -0.439                  3.995                  3.570
 Raman2 Fr= 1--      12.088                  4.837                  1.652
 ROA2   Fr= 1--      12.977                 23.575                  0.828
 CID2   Fr= 1--       1.074                  4.874                  0.501
 Raman3 Fr= 1--      24.176                  9.674                  3.304
 ROA3   Fr= 1--     -16.105                 45.319                 14.329
 CID3   Fr= 1--      -0.666                  4.685                  4.337
 RC180  Fr= 1--       0.319                  0.706                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    398.6976               239.9274                67.2720
  Dep-P Fr= 1--      0.2866                 0.3145                 0.4764
  Dep-U Fr= 1--      0.4455                 0.4785                 0.6453
 Alpha2 Fr= 1--      4.2547                 2.3550                 0.3694
 Beta2  Fr= 1--     29.6054                19.1359                 7.2353
 AlphaG Fr= 1--      1.0857                -0.0220                -0.6676
 Gamma2 Fr= 1--     11.5480                -2.9174                -1.9397
 Delta2 Fr= 1--      1.1388                 0.9945               -10.3848
 Raman1 Fr= 1--    1594.790                959.710                269.088
 ROA1   Fr= 1--    1145.050               -248.246               -518.527
 CID1   Fr= 1--       0.718                 -0.259                 -1.927
 Raman2 Fr= 1--     355.264                229.631                 86.823
 ROA2   Fr= 1--     268.042                -77.974                 36.525
 CID2   Fr= 1--       0.754                 -0.340                  0.421
 Raman3 Fr= 1--     710.529                459.262                173.647
 ROA3   Fr= 1--    1145.050               -248.246               -518.527
 CID3   Fr= 1--       1.612                 -0.541                 -2.986
 RC180  Fr= 1--      -0.109                 -0.043                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    151.3061               204.2257               140.5965
  Dep-P Fr= 1--      0.0304                 0.0174                 0.0080
  Dep-U Fr= 1--      0.0591                 0.0342                 0.0159
 Alpha2 Fr= 1--      3.1307                 4.3574                 3.0665
 Beta2  Fr= 1--      1.4892                 1.1634                 0.3717
 AlphaG Fr= 1--     -1.0531                -0.2615                 0.7179
 Gamma2 Fr= 1--     -4.0488                 2.2895                 0.3550
 Delta2 Fr= 1--     -2.3199                 0.1830                -1.6243
 Raman1 Fr= 1--     605.224                816.903                562.386
 ROA1   Fr= 1--    -462.920                225.644                -17.899
 CID1   Fr= 1--      -0.765                  0.276                 -0.032
 Raman2 Fr= 1--      17.871                 13.960                  4.461
 ROA2   Fr= 1--     -78.612                 53.483                 21.514
 CID2   Fr= 1--      -4.399                  3.831                  4.823
 Raman3 Fr= 1--      35.741                 27.921                  8.922
 ROA3   Fr= 1--    -462.920                225.644                -17.899
 CID3   Fr= 1--     -12.952                  8.082                 -2.006
 RC180  Fr= 1--      -0.882                 -0.932                 -0.968
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    187.2775               121.9186                49.8746
  Dep-P Fr= 1--      0.0922                 0.0672                 0.5999
  Dep-U Fr= 1--      0.1688                 0.1260                 0.7499
 Alpha2 Fr= 1--      3.3422                 2.3110                 0.1386
 Beta2  Fr= 1--      5.2682                 2.5607                 6.2338
 AlphaG Fr= 1--     -0.2126                 0.1693                 0.1102
 Gamma2 Fr= 1--      2.9848                 5.5498                -0.3587
 Delta2 Fr= 1--     -3.4511                -4.7045                 2.2732
 Raman1 Fr= 1--     749.110                487.674                199.498
 ROA1   Fr= 1--     176.106                382.234                 38.307
 CID1   Fr= 1--       0.235                  0.784                  0.192
 Raman2 Fr= 1--      63.218                 30.728                 74.805
 ROA2   Fr= 1--      99.243                170.830                -26.795
 CID2   Fr= 1--       1.570                  5.559                 -0.358
 Raman3 Fr= 1--     126.436                 61.456                149.610
 ROA3   Fr= 1--     176.106                382.234                 38.307
 CID3   Fr= 1--       1.393                  6.220                  0.256
 RC180  Fr= 1--      -0.662                 -0.748                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     51.6293                89.3719                34.3231
  Dep-P Fr= 1--      0.6920                 0.7283                 0.7312
  Dep-U Fr= 1--      0.8179                 0.8428                 0.8447
 Alpha2 Fr= 1--      0.0525                 0.0332                 0.0111
 Beta2  Fr= 1--      7.0383                12.5537                 4.8322
 AlphaG Fr= 1--     -0.0384                 0.0672                 0.1469
 Gamma2 Fr= 1--     11.3944                 6.7568                12.3936
 Delta2 Fr= 1--     12.2597                 1.6734                 8.9536
 Raman1 Fr= 1--     206.517                357.488                137.292
 ROA1   Fr= 1--    1486.171                702.199               1476.301
 CID1   Fr= 1--       7.196                  1.964                 10.753
 Raman2 Fr= 1--      84.459                150.645                 57.987
 ROA2   Fr= 1--     175.388                148.776                225.818
 CID2   Fr= 1--       2.077                  0.988                  3.894
 Raman3 Fr= 1--     168.919                301.290                115.973
 ROA3   Fr= 1--    1486.171                702.199               1476.301
 CID3   Fr= 1--       8.798                  2.331                 12.730
 RC180  Fr= 1--       0.636                  0.686                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--     99.5957                28.0002                70.6582
  Dep-P Fr= 1--      0.5939                 0.6342                 0.5957
  Dep-U Fr= 1--      0.7452                 0.7761                 0.7467
 Alpha2 Fr= 1--      0.2889                 0.0588                 0.2024
 Beta2  Fr= 1--     12.3705                 3.6220                 8.7929
 AlphaG Fr= 1--      0.1775                 0.0820                 0.5998
 Gamma2 Fr= 1--    -33.8683                11.1378                -3.1438
 Delta2 Fr= 1--     -5.4492                -0.5462                -4.2215
 Raman1 Fr= 1--     398.383                112.001                282.633
 ROA1   Fr= 1--   -3425.733               1051.755               -436.888
 CID1   Fr= 1--      -8.599                  9.391                 -1.546
 Raman2 Fr= 1--     148.446                 43.464                105.515
 ROA2   Fr= 1--    -769.246                271.678                -41.678
 CID2   Fr= 1--      -5.182                  6.251                 -0.395
 Raman3 Fr= 1--     296.893                 86.928                211.030
 ROA3   Fr= 1--   -3425.733               1051.755               -436.888
 CID3   Fr= 1--     -11.539                 12.099                 -2.070
 RC180  Fr= 1--       0.490                  0.552                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     74.5773                80.1218                44.8353
  Dep-P Fr= 1--      0.1729                 0.5772                 0.1893
  Dep-U Fr= 1--      0.2948                 0.7320                 0.3184
 Alpha2 Fr= 1--      1.0873                 0.2600                 0.6262
 Beta2  Fr= 1--      3.6639                 9.7744                 2.3792
 AlphaG Fr= 1--      0.4322                -0.1268                -0.5432
 Gamma2 Fr= 1--     -0.0923                -0.5344                -0.0864
 Delta2 Fr= 1--      0.7764                -2.5961                 1.8465
 Raman1 Fr= 1--     298.309                320.487                179.341
 ROA1   Fr= 1--      15.988               -134.382                 50.797
 CID1   Fr= 1--       0.054                 -0.419                  0.283
 Raman2 Fr= 1--      43.967                117.293                 28.550
 ROA2   Fr= 1--      -8.425                  7.942                -16.845
 CID2   Fr= 1--      -0.192                  0.068                 -0.590
 Raman3 Fr= 1--      87.934                234.585                 57.101
 ROA3   Fr= 1--      15.988               -134.382                 50.797
 CID3   Fr= 1--       0.182                 -0.573                  0.890
 RC180  Fr= 1--      -0.410                  0.464                 -0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163996D+03 -0.641779D+01  0.687208D+01
      2  -0.641779D+01  0.118076D+03 -0.310226D+01
      3   0.687208D+01 -0.310226D+01  0.100898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249077D+01 -0.176971D+01 -0.103613D+02
      2   0.416001D+02 -0.141518D+02 -0.333247D+02
      3   0.785944D-01  0.190189D+02  0.120100D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.628007D+02 -0.187411D+02  0.351316D+02
      2  -0.154597D+02  0.185275D+02 -0.175960D+02
      3  -0.473410D+02  0.213597D+00 -0.175356D+02
      4  -0.219039D+01 -0.326623D+02 -0.327463D+02
      5   0.310857D+02 -0.307930D+02 -0.826486D+02
      6  -0.100741D+02 -0.393917D+01  0.257757D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.305471D+01 -0.180559D+01 -0.363804D+01 -0.121454D+01 -0.368773D+01
      2  -0.180559D+01 -0.364706D+01  0.212816D+01 -0.368773D+01 -0.176690D+01
      3  -0.363804D+01  0.212816D+01  0.330691D+01  0.205601D+01 -0.176203D+01
                 6             7             8             9            10 
      1   0.205601D+01 -0.325486D+01  0.251135D+01  0.302917D+01 -0.201978D+02
      2  -0.176203D+01  0.251135D+01 -0.123418D+01  0.871492D+00  0.417156D+01
      3   0.134930D+01  0.302917D+01  0.871492D+00  0.986722D+00  0.284786D+01
                11            12            13            14            15 
      1   0.417156D+01  0.284786D+01  0.111262D+02  0.157533D+01 -0.232298D+01
      2   0.259517D+01 -0.208661D+01  0.157533D+01  0.431476D+01  0.135894D+01
      3  -0.208661D+01 -0.310374D+01 -0.232298D+01  0.135894D+01 -0.786993D+00
                16            17            18            19            20 
      1   0.124618D+02 -0.360179D+01 -0.487761D+01  0.339799D+02 -0.459275D+01
      2  -0.360179D+01  0.228509D+01 -0.294868D+00 -0.459275D+01  0.256990D+01
      3  -0.487761D+01 -0.294868D+00 -0.264699D+01  0.762453D+00  0.815766D+00
                21            22            23            24            25 
      1   0.762453D+00 -0.949910D+01  0.321948D+01  0.184759D+01 -0.415306D+01
      2   0.815766D+00  0.321948D+01  0.199282D+01 -0.178038D+01  0.217549D+01
      3   0.257881D+01  0.184759D+01 -0.178038D+01 -0.188459D+01  0.621271D+01
                26            27            28            29            30 
      1   0.217549D+01  0.621271D+01 -0.510665D+02  0.558270D+01 -0.468288D+01
      2  -0.243013D+01 -0.169479D+01  0.558270D+01 -0.248157D+01 -0.477424D-01
      3  -0.169479D+01  0.505088D+01 -0.468288D+01 -0.477424D-01 -0.231688D+01
                31            32            33            34            35 
      1   0.147194D+02 -0.482977D+01  0.101460D+01 -0.132497D+02  0.135116D+00
      2  -0.482977D+01 -0.186437D+01  0.111468D+01  0.135116D+00  0.113875D+01
      3   0.101460D+01  0.111468D+01  0.134099D+01 -0.704637D+01  0.130180D+01
                36            37            38            39            40 
      1  -0.704637D+01  0.505158D+02 -0.737420D+01  0.677919D+01 -0.112202D+02
      2   0.130180D+01 -0.737420D+01  0.135257D+01 -0.523081D+00  0.383607D+01
      3  -0.486422D+01  0.677919D+01 -0.523081D+00  0.242672D+01 -0.580039D+00
                41            42            43            44            45 
      1   0.383607D+01 -0.580039D+00  0.143597D+02 -0.100866D+01  0.592071D+01
      2   0.269922D+01 -0.149955D+01 -0.100866D+01 -0.181415D+01 -0.145802D+01
      3  -0.149955D+01 -0.160931D+01  0.592071D+01 -0.145802D+01  0.272587D+01
                46            47            48            49            50 
      1  -0.371855D+02  0.729133D+01 -0.712821D+01  0.835083D+01 -0.374844D+01
      2   0.729133D+01 -0.206766D+01  0.187910D+01 -0.374844D+01 -0.141568D+01
      3  -0.712821D+01  0.187910D+01 -0.120445D+01  0.270737D+01 -0.103833D+00
                51            52            53            54            55 
      1   0.270737D+01 -0.993523D+01  0.270360D+01 -0.203382D+01  0.306697D+02
      2  -0.103833D+00  0.270360D+01  0.709643D-01  0.918306D+00 -0.658752D+01
      3   0.114222D+01 -0.203382D+01  0.918306D+00 -0.866561D+00  0.529314D+01
                56            57            58            59            60 
      1  -0.658752D+01  0.529314D+01 -0.211291D+02  0.706430D+01 -0.384234D+01
      2   0.331410D+01 -0.128185D+01  0.706430D+01 -0.572689D+01  0.187175D+01
      3  -0.128185D+01  0.226448D+01 -0.384234D+01  0.187175D+01 -0.203835D+01
                61            62            63            64            65 
      1   0.108278D+02 -0.191118D+01  0.588137D+01  0.549982D+01 -0.248868D+01
      2  -0.191118D+01  0.115871D+01 -0.262218D+01 -0.248868D+01 -0.314988D+01
      3   0.588137D+01 -0.262218D+01  0.363048D+01 -0.213529D+01  0.260686D+01
                66            67            68            69            70 
      1  -0.213529D+01 -0.217523D+01 -0.247697D+01  0.275014D+01 -0.388007D+01
      2   0.260686D+01 -0.247697D+01 -0.319131D+01 -0.481183D+00  0.283804D+01
      3   0.276634D+01  0.275014D+01 -0.481183D+00  0.157356D+01  0.367069D+01
                71            72            73            74            75 
      1   0.283804D+01  0.367069D+01  0.249285D+01  0.182194D+01  0.145035D+01
      2  -0.891777D+00  0.768617D+00  0.182194D+01 -0.230890D+01 -0.787145D+00
      3   0.768617D+00  0.425190D+01  0.145035D+01 -0.787145D+00  0.284025D+01
                76            77            78            79            80 
      1   0.297032D+01 -0.294675D+01 -0.171313D+01 -0.486414D+00 -0.125929D+01
      2  -0.294675D+01 -0.546659D+01 -0.345431D+00 -0.125929D+01 -0.961052D+00
      3  -0.171313D+01 -0.345431D+00  0.138439D+01  0.466914D+01  0.191659D+01
                81            82            83            84            85 
      1   0.466914D+01  0.275314D+01 -0.243341D+01 -0.201995D+01 -0.303217D+01
      2   0.191659D+01 -0.243341D+01 -0.167683D+01  0.171453D+01 -0.216199D+01
      3  -0.113673D+01 -0.201995D+01  0.171453D+01 -0.849148D+00  0.142627D+01
                86            87            88            89            90 
      1  -0.216199D+01  0.142627D+01 -0.187209D+01  0.199813D+01 -0.116318D+01
      2   0.859354D+00  0.269048D+01  0.199813D+01  0.378952D+01  0.242933D+01
      3   0.269048D+01  0.209220D+01 -0.116318D+01  0.242933D+01 -0.502310D+00
                91            92            93            94            95 
      1  -0.829056D+01 -0.191899D+01 -0.203277D+01  0.479668D+00  0.342087D+01
      2  -0.191899D+01  0.316477D+01 -0.450409D-02  0.342087D+01  0.849035D+00
      3  -0.203277D+01 -0.450409D-02  0.164849D+01  0.316523D-01 -0.112257D+01
                96            97            98            99           100 
      1   0.316523D-01 -0.309159D+01 -0.133497D+00  0.578640D+00 -0.640022D+01
      2  -0.112257D+01 -0.133497D+00 -0.114005D+01 -0.257926D+01 -0.154938D+01
      3  -0.181544D+01  0.578640D+00 -0.257926D+01  0.371848D+01 -0.264860D+01
               101           102           103           104           105 
      1  -0.154938D+01 -0.264860D+01 -0.415963D+00 -0.847582D+00 -0.139222D+00
      2  -0.126191D+01 -0.458013D+00 -0.847582D+00 -0.167614D+00 -0.563302D+00
      3  -0.458013D+00 -0.219305D+01 -0.139222D+00 -0.563302D+00 -0.373218D+00
               106           107           108           109           110 
      1  -0.471256D+01 -0.738742D+00 -0.301005D+01 -0.300503D+01 -0.152359D+01
      2  -0.738742D+00 -0.138241D+01 -0.999276D+00 -0.152359D+01 -0.772978D+00
      3  -0.301005D+01 -0.999276D+00 -0.272201D+01  0.181223D+01  0.801545D+00
               111           112           113           114           115 
      1   0.181223D+01 -0.903795D+00 -0.123042D+01  0.965880D+00  0.435437D+01
      2   0.801545D+00 -0.123042D+01 -0.126417D+01  0.130781D+01  0.185356D+01
      3  -0.198012D+01  0.965880D+00  0.130781D+01 -0.126362D+01 -0.386893D+01
               116           117           118           119           120 
      1   0.185356D+01 -0.386893D+01 -0.501416D+01  0.102462D+01 -0.181284D+01
      2   0.230885D+01 -0.197406D+01  0.102462D+01 -0.581751D+00  0.422978D-01
      3  -0.197406D+01  0.504776D+01 -0.181284D+01  0.422978D-01 -0.172038D+01
               121           122           123           124           125 
      1   0.440243D+01 -0.117423D+01  0.139428D+00 -0.352855D+01 -0.692577D-01
      2  -0.117423D+01  0.218302D+00 -0.982671D+00 -0.692577D-01 -0.118106D+01
      3   0.139428D+00 -0.982671D+00  0.106624D+01 -0.325614D+01  0.948233D+00
               126           127           128           129           130 
      1  -0.325614D+01  0.220342D+01 -0.255489D+00  0.888752D+00 -0.344223D+00
      2   0.948233D+00 -0.255489D+00  0.153379D+01 -0.793274D+00  0.858101D+00
      3  -0.837258D+01  0.888752D+00 -0.793274D+00  0.127203D+01 -0.520109D+00
               131           132           133           134           135 
      1   0.858101D+00 -0.520109D+00  0.172797D+01 -0.679430D+00  0.844930D+00
      2  -0.224953D+01  0.841920D+00 -0.679430D+00  0.190325D+01 -0.168057D+01
      3   0.841920D+00 -0.117853D+01  0.844930D+00 -0.168057D+01  0.287438D+01
               136           137           138           139           140 
      1  -0.733218D+00 -0.928841D+00 -0.448455D+00 -0.373596D+00 -0.381876D+00
      2  -0.928841D+00 -0.790044D-01 -0.197058D+00 -0.381876D+00 -0.692254D+01
      3  -0.448455D+00 -0.197058D+00  0.366415D-01 -0.254438D+00 -0.326117D+01
               141           142           143           144           145 
      1  -0.254438D+00 -0.101812D+01 -0.484145D+00  0.794697D-01  0.242338D+01
      2  -0.326117D+01 -0.484145D+00 -0.463233D+01 -0.332364D+01  0.182195D+01
      3  -0.237213D+01  0.794697D-01 -0.332364D+01 -0.315474D+01  0.541227D+00
               146           147           148           149           150 
      1   0.182195D+01  0.541227D+00  0.183346D+01  0.227758D+01  0.207150D+00
      2   0.276298D+01  0.534607D+00  0.227758D+01  0.534769D+01  0.136615D+01
      3   0.534607D+00  0.792906D+00  0.207150D+00  0.136615D+01  0.147007D+01
               151           152           153           154           155 
      1  -0.312061D+00  0.155251D-01  0.291647D+00  0.196154D+01 -0.834224D+00
      2   0.155251D-01  0.101359D+00  0.578857D+00 -0.834224D+00  0.150068D+01
      3   0.291647D+00  0.578857D+00  0.199340D+00  0.119406D+01 -0.673484D+00
               156           157           158           159           160 
      1   0.119406D+01 -0.134696D+01  0.132187D+01 -0.817709D+00  0.945718D+00
      2  -0.673484D+00  0.132187D+01 -0.232198D+01  0.121850D+01 -0.674983D+00
      3   0.154762D+01 -0.817709D+00  0.121850D+01 -0.254241D+01  0.815865D+00
               161           162           163           164           165 
      1  -0.674983D+00  0.815865D+00 -0.527666D+01  0.155223D+01  0.356074D+01
      2   0.112147D+01 -0.121607D+01  0.155223D+01 -0.123949D+01 -0.145034D+01
      3  -0.121607D+01  0.244850D+01  0.356074D+01 -0.145034D+01 -0.425202D+01
               166           167           168           169           170 
      1   0.734341D+00 -0.688995D+00 -0.815714D+00  0.237444D+01 -0.100253D+01
      2  -0.688995D+00  0.117401D+01  0.123633D+01 -0.100253D+01  0.105847D+01
      3  -0.815714D+00  0.123633D+01  0.825858D+00 -0.304962D+01  0.119461D+01
               171           172           173           174           175 
      1  -0.304962D+01 -0.233380D+01  0.278408D+00 -0.161510D+01 -0.872159D+00
      2   0.119461D+01  0.278408D+00 -0.103804D+00 -0.163974D+00  0.885016D-01
      3   0.433515D+01 -0.161510D+01 -0.163974D+00 -0.215074D+01 -0.761773D+00
               176           177           178           179           180 
      1   0.885016D-01 -0.761773D+00 -0.243947D+01  0.183314D+00 -0.315756D+01
      2  -0.456901D+00 -0.722759D+00  0.183314D+00 -0.142113D+01  0.168698D+00
      3  -0.722759D+00 -0.134928D+01 -0.315756D+01  0.168698D+00 -0.681594D+01
               181           182           183           184           185 
      1   0.135981D+01  0.127683D+01  0.513292D-01  0.160795D+01  0.953917D+00
      2   0.127683D+01  0.363548D+01 -0.832468D+00  0.953917D+00  0.755015D+01
      3   0.513292D-01 -0.832468D+00  0.655747D+00 -0.281497D+00 -0.111621D+01
               186           187           188           189           190 
      1  -0.281497D+00  0.339947D+00 -0.471038D+00 -0.785152D-01 -0.771754D+01
      2  -0.111621D+01 -0.471038D+00 -0.563832D+00  0.986860D+00  0.326113D+01
      3   0.106683D+01 -0.785152D-01  0.986860D+00 -0.808996D+00  0.192422D+01
               191           192           193           194           195 
      1   0.326113D+01  0.192422D+01  0.167441D+01 -0.168568D+01 -0.796412D+00
      2  -0.201007D+01 -0.850661D+00 -0.168568D+01  0.202227D+01  0.635035D+00
      3  -0.850661D+00 -0.185239D+01 -0.796412D+00  0.635035D+00  0.336276D+00
               196           197           198           199           200 
      1   0.452149D+01 -0.206391D+01 -0.215445D+01 -0.395114D+00  0.136799D+01
      2  -0.206391D+01  0.193800D+01  0.793259D+00  0.136799D+01  0.813002D+00
      3  -0.215445D+01  0.793259D+00  0.155526D+01 -0.658165D+00 -0.100158D+00
               201           202           203           204           205 
      1  -0.658165D+00  0.190677D+01  0.932655D+00  0.654598D-01 -0.193270D+01
      2  -0.100158D+00  0.932655D+00  0.577681D+01 -0.171842D+01  0.419012D+00
      3  -0.788128D-01  0.654598D-01 -0.171842D+01  0.130297D+01  0.851317D+00
               206           207           208           209           210 
      1   0.419012D+00  0.851317D+00  0.244379D+00 -0.106077D+01  0.441496D+00
      2  -0.140904D+01  0.838165D+00 -0.106077D+01 -0.201605D+00 -0.417180D-01
      3   0.838165D+00 -0.442577D+00  0.441496D+00 -0.417180D-01  0.131303D+00
               211           212           213           214           215 
      1  -0.216360D+01 -0.306983D+00 -0.751152D-01  0.704324D+00 -0.136740D+00
      2  -0.306983D+00 -0.659077D+01  0.110015D+01 -0.136740D+00  0.150063D+01
      3  -0.751152D-01  0.110015D+01 -0.107525D+01 -0.310394D+00 -0.747739D+00
               216           217           218           219           220 
      1  -0.310394D+00  0.110565D+01  0.263461D+00 -0.526468D+00  0.113263D+01
      2  -0.747739D+00  0.263461D+00 -0.932220D+00  0.169432D+00  0.714958D-01
      3   0.366449D+00 -0.526468D+00  0.169432D+00 -0.624195D+00 -0.164766D-01
               221           222           223           224           225 
      1   0.714958D-01 -0.164766D-01 -0.192392D+01 -0.937685D+00  0.585063D+00
      2   0.143106D+01 -0.110431D+01 -0.937685D+00 -0.238713D+01  0.234916D+01
      3  -0.110431D+01  0.136855D+01  0.585063D+00  0.234916D+01 -0.660173D+01
               226           227           228           229           230 
      1   0.983876D+01  0.286124D+01  0.743073D+00  0.142566D+01  0.111666D+01
      2   0.286124D+01  0.189735D+01  0.203509D+00  0.111666D+01  0.766470D+00
      3   0.743073D+00  0.203509D+00  0.123747D+01  0.134697D+00  0.309345D+00
               231           232           233           234           235 
      1   0.134697D+00  0.156079D+01  0.482822D+00  0.111029D+01 -0.486717D+00
      2   0.309345D+00  0.482822D+00  0.593325D+00  0.620434D+00  0.778034D+00
      3   0.325442D+00  0.111029D+01  0.620434D+00  0.210107D+00  0.105665D+01
               236           237           238           239           240 
      1   0.778034D+00  0.105665D+01  0.232654D+01 -0.569412D+00 -0.409292D+00
      2  -0.262507D+01 -0.603729D+00 -0.569412D+00  0.440329D+01  0.151272D+01
      3  -0.603729D+00 -0.117980D+01 -0.409292D+00  0.151272D+01  0.164424D+01
               241           242           243 
      1   0.161209D+01 -0.143093D+00 -0.534378D+00
      2  -0.143093D+00  0.247991D+01  0.190608D+01
      3  -0.534378D+00  0.190608D+01  0.153411D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.995568D+00 -0.104539D+02  0.175587D+01 -0.107777D+02 -0.267840D+01
      2   0.688838D+01  0.530178D+00  0.460630D+01 -0.530958D+00  0.112233D+02
      3  -0.207524D+01 -0.104141D+02 -0.700810D+00 -0.614676D+01 -0.720108D+01
                 6             7             8             9            10 
      1  -0.797488D+01  0.192556D+01 -0.191557D+01  0.284409D+01 -0.787589D+01
      2  -0.656268D+01 -0.153928D+01 -0.557782D+01 -0.705806D+01 -0.242283D+02
      3  -0.143436D+00  0.131712D+01 -0.564637D-01  0.409509D+01  0.404363D+01
                11            12            13            14            15 
      1   0.552442D+01  0.215743D+01  0.579792D+01 -0.828166D+00 -0.374433D+01
      2   0.779205D+01  0.113825D+02  0.148632D+02 -0.653560D+01  0.203443D+01
      3   0.560506D+01 -0.176233D+01  0.126772D+02  0.138452D+02  0.172388D+01
                16            17            18            19            20 
      1   0.370487D+01  0.563332D+01  0.819059D+00  0.103684D+02 -0.404711D+01
      2   0.135141D+02  0.997439D+00  0.334202D+01  0.257841D+02 -0.571327D+01
      3  -0.305039D+01  0.577783D+00 -0.352357D+01 -0.363653D+01 -0.459871D+01
                21            22            23            24            25 
      1  -0.244542D+01 -0.532475D+01 -0.494545D+01 -0.617542D+00 -0.638691D+01
      2   0.119682D+01 -0.122876D+02  0.525020D+01  0.388968D+01 -0.180029D+02
      3  -0.812885D+00  0.838016D+01 -0.145654D+01 -0.680256D+00 -0.207787D+01
                26            27            28            29            30 
      1   0.465145D+01  0.275437D+01 -0.107078D+02  0.170788D+01  0.126861D+01
      2   0.363087D+01  0.266362D+01 -0.298528D+02  0.295646D+01 -0.722765D+01
      3  -0.696726D+00 -0.143185D+01  0.462577D+01  0.237949D+01  0.217529D+01
                31            32            33            34            35 
      1   0.256412D+01  0.297181D+01 -0.179616D+01  0.451413D+01  0.294723D+01
      2   0.861092D+01 -0.321728D+01  0.138341D+01 -0.409539D+02  0.343560D+01
      3   0.180833D+02 -0.146291D+01  0.123309D+01  0.701289D+01  0.110460D+01
                36            37            38            39            40 
      1  -0.127510D+01  0.823244D+01 -0.149030D+01 -0.215364D+01 -0.716957D+01
      2  -0.101275D+02  0.373357D+02 -0.410416D+01  0.122675D+02 -0.667380D+01
      3   0.462896D+00  0.292523D+01 -0.657018D+01 -0.146785D+01  0.922236D+01
                41            42            43            44            45 
      1   0.542615D+00 -0.205116D+01 -0.464607D+01  0.122651D+01 -0.422139D+00
      2  -0.828706D+00  0.531056D+00  0.124889D+02 -0.963831D+00  0.704274D+01
      3  -0.117047D+02  0.456855D+01 -0.441502D+01  0.292374D+01  0.248509D+00
                46            47            48            49            50 
      1  -0.693069D+01 -0.143195D+01  0.702520D+01 -0.171043D+01  0.666676D+01
      2  -0.217417D+02  0.391808D+01 -0.173217D+02  0.300245D+01 -0.162985D+01
      3  -0.865153D+01  0.918669D+01  0.223081D+01  0.180454D+02  0.268299D+01
                51            52            53            54            55 
      1   0.432151D+01  0.332445D+01  0.140852D+02 -0.338099D+01  0.389909D+01
      2   0.346977D+01 -0.265025D+02 -0.320149D+00 -0.834162D+01  0.169486D+02
      3   0.282198D+01  0.108263D+01  0.512624D+01 -0.164027D+01  0.457219D+01
                56            57            58            59            60 
      1   0.162610D+01 -0.873704D+00 -0.151167D+01 -0.252997D+01 -0.504261D+01
      2  -0.385833D+01  0.181313D+02 -0.114887D+02  0.617095D+01 -0.117657D+02
      3  -0.178708D+02  0.414186D+00 -0.771702D+01  0.189511D+02 -0.388221D+01
                61            62            63            64            65 
      1   0.178628D+01 -0.398580D+00  0.213447D+01  0.565687D+01 -0.372482D+01
      2   0.149972D+02 -0.570097D+01  0.137826D+02  0.955161D+01 -0.101306D+02
      3  -0.128007D+00 -0.741004D+01  0.506989D+01  0.506154D+00 -0.182736D+02
                66            67            68            69            70 
      1  -0.732169D+01 -0.374568D+01  0.358936D+01 -0.392761D+01 -0.104524D+02
      2  -0.836133D+01 -0.917201D+01  0.237917D+00 -0.282195D+01 -0.159981D+02
      3   0.525158D+01 -0.788141D+01 -0.178184D+02  0.360981D+01  0.403856D+01
                71            72            73            74            75 
      1   0.203647D+01 -0.879093D+01  0.384814D+01 -0.349945D+01  0.362517D+01
      2   0.237329D+00 -0.111655D+02 -0.198300D+01  0.175492D+01 -0.869598D+01
      3   0.370603D+01  0.886403D+01  0.733634D+01 -0.160051D+02 -0.733108D+01
                76            77            78            79            80 
      1  -0.245096D+01 -0.293691D+01 -0.581212D-01  0.675487D+01  0.555716D+01
      2   0.507001D+01  0.183837D+01 -0.508451D+01 -0.215187D+02 -0.753437D+01
      3  -0.905198D+01 -0.143221D+02  0.211697D+00 -0.782646D+01  0.956427D+00
                81            82            83            84            85 
      1  -0.145884D+01 -0.368550D+01  0.630452D+01 -0.255599D+01  0.866251D+01
      2   0.480952D+01  0.401412D+01 -0.312092D+01  0.255653D+01 -0.531752D+01
      3   0.137387D+01 -0.101893D+02  0.362096D+00  0.804954D+01  0.837352D+01
                86            87            88            89            90 
      1   0.913545D+01  0.128144D+01 -0.162524D+01  0.850273D+01 -0.140025D+01
      2  -0.383408D+01 -0.126991D+01 -0.139441D+01 -0.330758D+00  0.375620D+00
      3   0.490894D+01 -0.140429D+01  0.104821D+02 -0.919882D+00  0.619143D+01
                91            92            93            94            95 
      1   0.293491D+01 -0.252004D+01 -0.529509D+01  0.148197D+00  0.228454D+01
      2  -0.924654D+01 -0.694647D-01  0.804020D+01  0.841565D+00 -0.295112D+01
      3  -0.146273D+01 -0.186109D+02 -0.358005D+01 -0.876202D+01  0.171019D+01
                96            97            98            99           100 
      1  -0.805463D+00  0.313102D+01  0.102150D+02 -0.653922D+01 -0.333034D+01
      2  -0.455126D+01 -0.212796D+01 -0.997745D+01  0.132917D+02  0.781692D+01
      3   0.445227D+01 -0.301249D+01  0.583285D+01  0.123277D+02  0.380104D+01
               101           102           103           104           105 
      1   0.436759D+00 -0.324405D+01 -0.704330D-01 -0.560621D+00 -0.131608D+01
      2   0.106929D+01  0.911686D+01  0.724002D+00  0.151718D+01  0.135035D+01
      3  -0.392316D+01  0.203786D+01 -0.143432D+00  0.969720D+00 -0.161646D+01
               106           107           108           109           110 
      1  -0.356548D+01  0.489447D+00 -0.381859D+01  0.207323D+01  0.694470D-01
      2   0.706190D+01  0.266688D+01  0.918964D+01 -0.348186D+01 -0.233322D+01
      3   0.357791D+01 -0.496258D+01  0.678830D+00  0.309791D+00 -0.215952D+01
               111           112           113           114           115 
      1  -0.284348D+01  0.155791D+01  0.971757D+00 -0.234461D+01 -0.423187D+01
      2   0.739817D+01 -0.182513D+01 -0.423012D+01  0.428951D+01  0.932820D+01
      3   0.362100D+00 -0.161304D+00 -0.260891D+01  0.263838D+01  0.419939D+00
               116           117           118           119           120 
      1   0.959652D+00  0.706747D+01 -0.142712D+01  0.143521D+01 -0.376269D+00
      2   0.581338D+01 -0.165273D+02 -0.338958D+01  0.125048D+01  0.106217D+01
      3   0.668294D+01 -0.151402D+01  0.918346D+00 -0.170697D+01  0.599133D+00
               121           122           123           124           125 
      1   0.241157D+01 -0.175126D+00  0.610589D+00  0.165720D+01  0.390197D+01
      2   0.495965D+01 -0.735079D+00 -0.759618D+00 -0.349821D+01 -0.827047D+00
      3   0.118578D+01 -0.705456D-01 -0.604681D+00  0.900358D+00 -0.159019D+01
               126           127           128           129           130 
      1  -0.269069D+01  0.243363D+01 -0.193654D+01  0.385769D+01 -0.161899D+01
      2   0.460576D+01 -0.249543D+01  0.889143D+00 -0.438559D+00  0.999135D+00
      3   0.107019D+01 -0.841581D+01  0.171886D+01 -0.412560D+01  0.335919D+01
               131           132           133           134           135 
      1   0.188516D+01 -0.379803D+01  0.255943D+01 -0.225043D+01  0.841136D+01
      2  -0.107750D+01  0.107894D+01 -0.305852D+01  0.196242D+01 -0.280045D+01
      3  -0.535452D+01  0.279836D+01 -0.706001D+01  0.431682D+01 -0.584249D+01
               136           137           138           139           140 
      1  -0.339773D+00 -0.586209D+00  0.308166D+00  0.192003D+00 -0.335727D+01
      2   0.320861D-01 -0.902680D-01  0.447686D+00 -0.713433D+00  0.313840D+01
      3  -0.103105D+01  0.838606D+00  0.407134D+00  0.423787D+01 -0.998143D+01
               141           142           143           144           145 
      1  -0.629402D+01  0.541281D+00 -0.364788D+01 -0.668973D+01  0.385600D+01
      2   0.249627D+01 -0.220751D+01  0.338633D+01  0.356737D+01 -0.746237D+01
      3  -0.439164D+01  0.241401D+01 -0.567068D+01 -0.544107D+01  0.821892D+01
               146           147           148           149           150 
      1   0.549752D+01 -0.130081D+01  0.480162D+01  0.879670D+01 -0.171147D+01
      2  -0.498149D+01 -0.118702D+01 -0.585659D+01 -0.786341D+01 -0.179363D+01
      3   0.540474D+01  0.118558D+01  0.868264D+01  0.103199D+02  0.258575D+01
               151           152           153           154           155 
      1  -0.910887D+00  0.891228D+00  0.130909D+01 -0.376865D+01  0.536052D+01
      2  -0.147828D+01 -0.869863D+00 -0.771553D+00 -0.850929D+01  0.372301D+01
      3  -0.108054D+01 -0.290366D-01  0.145815D+01 -0.490521D+00  0.417123D+00
               156           157           158           159           160 
      1  -0.204133D+01  0.444865D+01 -0.801233D+01  0.242303D+01 -0.208425D+01
      2  -0.343724D+01  0.584590D+01 -0.557422D+01  0.531806D+01 -0.471949D+01
      3   0.434535D-01  0.262026D+01 -0.134111D+01  0.967838D+00 -0.447270D+00
               161           162           163           164           165 
      1   0.457340D+01 -0.385068D+01 -0.865441D+00 -0.195628D+01  0.212738D+01
      2   0.357288D+01 -0.521887D+01  0.356507D+01  0.353495D+00  0.396744D+01
      3   0.311589D+00 -0.119555D+01 -0.204184D+01 -0.269351D+01  0.250930D+00
               166           167           168           169           170 
      1  -0.226173D+00  0.108366D+01  0.156472D+00  0.103611D+01  0.258758D+01
      2  -0.112947D+01 -0.146980D+01 -0.270203D-01 -0.297540D+01  0.184614D-01
      3   0.535005D+00  0.191868D+01  0.133151D+01  0.168502D+01  0.171461D+01
               171           172           173           174           175 
      1  -0.261061D+01  0.258068D+01  0.109560D+01  0.412755D+01  0.753803D+00
      2  -0.303640D+01  0.286377D+01  0.548048D+00  0.657569D+01  0.913739D+00
      3  -0.765503D+00 -0.244481D+01 -0.920235D+00 -0.314544D+01  0.160294D+00
               176           177           178           179           180 
      1   0.233938D+01  0.183759D+01  0.495691D+01  0.404280D+01  0.115996D+02
      2   0.227144D+01  0.382408D+01  0.496839D+01  0.100758D+00  0.190049D+02
      3  -0.178723D+01 -0.310479D+01 -0.341838D+01 -0.538158D+01 -0.462231D+01
               181           182           183           184           185 
      1  -0.971993D+00 -0.529216D+00 -0.187213D+01 -0.380645D+00 -0.248355D+01
      2   0.130653D+01  0.300655D+01 -0.660854D+00  0.226708D+01  0.404844D+01
      3   0.911213D+01  0.127097D+02 -0.230848D+01  0.923256D+01  0.253907D+02
               186           187           188           189           190 
      1  -0.375416D+01  0.216824D+00 -0.770220D-01  0.120093D+01 -0.539270D+01
      2  -0.261772D+01 -0.644955D+00 -0.287397D+01  0.203520D+01 -0.935768D+01
      3  -0.410888D+01 -0.148712D+01 -0.297020D+01  0.286882D+01 -0.375446D+01
               191           192           193           194           195 
      1   0.221628D+01  0.477960D+01  0.248232D+01 -0.197472D+01 -0.201796D+01
      2   0.443032D+01  0.951099D+01  0.374341D+01 -0.306129D+01 -0.210271D+01
      3  -0.328722D+01  0.704286D+00 -0.428103D-01  0.408545D+01  0.460013D+00
               196           197           198           199           200 
      1   0.446982D+01 -0.765271D+00 -0.363173D+01  0.295456D+00 -0.118020D+01
      2   0.757504D+01 -0.309670D+01 -0.714958D+01 -0.388387D+00  0.124920D+01
      3   0.771309D+00  0.372722D+01 -0.118629D+01  0.157425D+00 -0.780734D-01
               201           202           203           204           205 
      1  -0.568295D+00 -0.205549D+01 -0.526217D+01 -0.187048D+01 -0.555795D+01
      2  -0.435689D+00  0.231524D+01  0.838849D+00  0.769936D+00 -0.276700D+01
      3   0.726087D-01  0.331016D+01 -0.271502D+01  0.218267D+00 -0.151127D+01
               206           207           208           209           210 
      1   0.208209D+01 -0.873149D+00  0.108460D+01  0.114492D-01 -0.231370D+00
      2   0.158519D+00  0.555599D+00  0.207610D+01 -0.297721D+00  0.353523D+00
      3   0.696989D+00 -0.788683D+00  0.346416D+01  0.782181D+00 -0.340144D+00
               211           212           213           214           215 
      1  -0.329560D+00  0.777963D+00 -0.358695D+01 -0.205627D+01  0.341675D+00
      2  -0.259753D+00  0.312984D+01 -0.220879D+01 -0.368397D+01 -0.175219D+01
      3   0.570170D+01  0.134278D+02 -0.250235D+01 -0.208996D+01 -0.295460D+01
               216           217           218           219           220 
      1   0.407859D+00 -0.149734D-01 -0.370413D+00  0.150143D+01 -0.106502D+01
      2   0.524602D+00 -0.151359D+01  0.834516D+00 -0.204193D+01  0.151179D+01
      3   0.162476D+01 -0.932594D+00  0.291392D+01 -0.186457D+01  0.101852D+01
               221           222           223           224           225 
      1   0.120587D+01 -0.272369D+01 -0.149797D+01 -0.275506D+01  0.116923D+02
      2  -0.351642D+01  0.449823D+01  0.400031D-01  0.809935D+01 -0.226312D+02
      3  -0.529505D+01  0.365109D+01 -0.300055D+00  0.670878D+01 -0.861231D+01
               226           227           228           229           230 
      1  -0.212707D+01 -0.567913D+00 -0.230820D+01 -0.589005D+00 -0.582167D+00
      2   0.535853D+01  0.157011D+01  0.675268D+01  0.106450D+01  0.137163D+01
      3   0.407051D+01 -0.531569D+01  0.580722D+00  0.280166D+00 -0.101296D+01
               231           232           233           234           235 
      1  -0.134866D+01 -0.114463D+01 -0.209853D-01 -0.429818D+00 -0.821043D+00
      2   0.151457D+01  0.300962D+01  0.189586D+01  0.126928D+01  0.354530D+01
      3  -0.938813D+00  0.575720D+00 -0.191451D+01 -0.105450D+01 -0.572709D+01
               236           237           238           239           240 
      1   0.300865D+01  0.289737D+01  0.176921D+01 -0.437320D+01 -0.429921D+01
      2  -0.272734D+01 -0.310594D+01 -0.147759D+01  0.548796D+01  0.511714D+01
      3   0.110674D+02  0.462372D+01  0.680983D+01 -0.172880D+02 -0.645806D+01
               241           242           243 
      1   0.373104D+00 -0.385236D+01 -0.392778D+01
      2  -0.192135D+01  0.705890D+01  0.533139D+01
      3   0.362732D+01 -0.983011D+01 -0.871572D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566592D+01  0.629060D+01  0.731662D+01  0.413981D+01  0.182626D+02
      2   0.506727D+01 -0.185252D+02 -0.111720D+02 -0.152641D+02 -0.102334D+02
      3  -0.107332D+02  0.122346D+02  0.385541D+01  0.111242D+02 -0.802923D+01
      4   0.771341D+01  0.638082D+01 -0.122960D+02  0.795208D+01 -0.286897D+01
      5   0.202298D+02 -0.124693D+02 -0.241136D+02 -0.121903D+02 -0.304971D+01
      6  -0.811918D+01 -0.691093D+01  0.115826D+02 -0.752194D+01 -0.573254D+01
                 6             7             8             9            10 
      1  -0.887889D+01  0.447557D+01 -0.113223D+02 -0.176465D+02 -0.403815D+01
      2  -0.394705D+00 -0.858829D+01  0.133242D+01  0.824890D+01  0.309082D+00
      3   0.927359D+01  0.411272D+01  0.998985D+01  0.939763D+01  0.372906D+01
      4   0.690747D+01 -0.142225D+02  0.726458D+01  0.349967D+01 -0.142278D+02
      5   0.171065D+01 -0.231283D+02  0.535297D+01  0.716224D+01 -0.100326D+02
      6  -0.357224D+01  0.109993D+02 -0.255804D+01  0.611912D+01  0.736477D+01
                11            12            13            14            15 
      1  -0.860299D+01 -0.987629D+00 -0.223937D+00 -0.242146D+02  0.786546D+01
      2   0.110255D+02  0.797700D+00  0.210957D+01  0.109783D+02 -0.124791D+01
      3  -0.242252D+01  0.189929D+00 -0.188564D+01  0.132363D+02 -0.661754D+01
      4  -0.131599D+02  0.109875D+02 -0.173276D+02 -0.178263D+02 -0.692461D+01
      5   0.104707D+02  0.133146D+02  0.119677D+02 -0.239253D+01  0.532311D+01
      6  -0.681781D+01 -0.196078D+01 -0.258948D+01  0.970336D+01 -0.955121D+00
                16            17            18            19            20 
      1  -0.708137D+00  0.128337D+02  0.136841D+02  0.348384D+02  0.730267D+01
      2  -0.571659D+01 -0.334739D+01 -0.968965D+01 -0.161125D+02 -0.884226D+01
      3   0.642473D+01 -0.948634D+01 -0.399443D+01 -0.187259D+02  0.153959D+01
      4   0.162263D+02 -0.128044D+02  0.145926D+01  0.925455D+01 -0.623380D+01
      5   0.203977D+02  0.127292D+01  0.900300D+01 -0.619676D+01 -0.186877D+01
      6  -0.294561D+01 -0.681471D+00 -0.763608D+01 -0.740181D+01 -0.802130D+00
                21            22            23            24            25 
      1   0.466350D+01  0.196422D+01  0.232895D+01 -0.307823D+01  0.180963D+02
      2   0.221364D+01 -0.363812D+01 -0.621552D+01  0.554573D+00  0.725740D+01
      3  -0.687714D+01  0.167390D+01  0.388657D+01  0.252365D+01 -0.253537D+02
      4  -0.406700D+01 -0.622075D+01 -0.249046D+01  0.437888D+01 -0.111354D+02
      5  -0.625670D+01 -0.505617D+01  0.121101D+01  0.389561D+01 -0.162633D+02
      6  -0.161000D+00 -0.166245D+01 -0.386374D+01  0.279029D+01 -0.173305D+01
                26            27            28            29            30 
      1  -0.757912D+01  0.112192D+02 -0.112758D+03  0.103793D+02 -0.119748D+02
      2   0.373389D+01  0.126479D+02  0.465319D+02 -0.565751D+01  0.476549D+01
      3   0.384523D+01 -0.238671D+02  0.662262D+02 -0.472178D+01  0.720934D+01
      4   0.871565D+01  0.145323D+01  0.174551D+02 -0.928512D+01  0.129551D+01
      5   0.465492D+01 -0.147659D+02 -0.219938D+01 -0.747644D+00 -0.809781D+01
      6   0.351177D+01  0.118864D+01  0.805336D+01  0.209695D+01  0.130171D+01
                31            32            33            34            35 
      1   0.459042D+02 -0.761018D+01  0.148319D+01 -0.391979D+02 -0.100389D+01
      2  -0.218862D+02  0.251086D+01  0.232344D+00  0.112517D+02  0.344197D+01
      3  -0.240180D+02  0.509932D+01 -0.171554D+01  0.279462D+02 -0.243808D+01
      4  -0.156359D+02 -0.255609D+01  0.720971D+00  0.729140D+01 -0.306497D+01
      5   0.704686D+01  0.177625D+01  0.167045D+01 -0.735358D+01  0.273875D+00
      6   0.134397D+01  0.845060D+01 -0.760681D+00  0.204449D+00  0.307444D+01
                36            37            38            39            40 
      1  -0.300619D+02  0.161316D+03 -0.244684D+02  0.283209D+02 -0.225084D+02
      2   0.279114D+00 -0.698889D+02  0.104957D+02 -0.100903D+02  0.681113D+01
      3   0.297828D+02 -0.914271D+02  0.139727D+02 -0.182305D+02  0.156973D+02
      4   0.473886D+01 -0.463943D+02  0.147039D+02 -0.573172D+01  0.166698D+02
      5  -0.121482D+02  0.217288D+02 -0.193193D+01  0.177547D+02  0.281373D+01
      6   0.320328D+01 -0.909931D+01 -0.106504D+01 -0.237781D+01 -0.109953D+01
                41            42            43            44            45 
      1   0.128762D+02 -0.702405D+01  0.387414D+02 -0.849235D+01  0.849721D+01
      2  -0.110227D+02  0.265035D+01 -0.173207D+02  0.691511D+01 -0.745481D+01
      3  -0.185347D+01  0.437370D+01 -0.214207D+02  0.157724D+01 -0.104240D+01
      4   0.120986D+02 -0.452305D+01 -0.577809D+01 -0.600091D+01 -0.615283D+01
      5  -0.628679D+01 -0.180559D+01  0.284615D+02 -0.623650D+01  0.606278D+01
      6   0.388563D+01  0.350964D+01 -0.864049D+01  0.685421D+01  0.660081D+00
                46            47            48            49            50 
      1  -0.146858D+03  0.359712D+02 -0.250873D+02  0.534967D+02 -0.238796D+02
      2   0.660568D+02 -0.162414D+02  0.141111D+02 -0.325211D+02  0.544226D+01
      3   0.808013D+02 -0.197298D+02  0.109762D+02 -0.209756D+02  0.184374D+02
      4   0.660642D+02 -0.346131D+02  0.152484D+02 -0.365321D+02 -0.802298D+01
      5  -0.386740D+02  0.112877D+02 -0.235849D+02  0.213320D+02 -0.206220D+01
      6   0.147857D+02 -0.572285D+01  0.270745D+01  0.461515D-01  0.387876D+01
                51            52            53            54            55 
      1   0.133989D+02 -0.493586D+02  0.123691D+02 -0.150475D+02  0.160112D+03
      2  -0.111620D+02  0.236401D+02 -0.358044D+01  0.302305D+01 -0.776867D+02
      3  -0.223697D+01  0.257186D+02 -0.878870D+01  0.120245D+02 -0.824257D+02
      4  -0.189432D+01  0.268171D+02 -0.456056D+01  0.759580D+01 -0.654656D+02
      5   0.525484D+01 -0.869194D+01  0.546768D+01 -0.121194D+02  0.337178D+02
      6  -0.599745D+01  0.771400D+00  0.172206D+01  0.477322D+01 -0.776880D+01
                56            57            58            59            60 
      1  -0.393235D+02  0.250896D+02 -0.930492D+02  0.301471D+02 -0.134998D+02
      2   0.148187D+02 -0.155520D+02  0.379496D+02 -0.312358D+01  0.787667D+01
      3   0.245048D+02 -0.953766D+01  0.550996D+02 -0.270236D+02  0.562311D+01
      4   0.428485D+02 -0.118514D+02  0.685453D+02 -0.503524D+02  0.149841D+02
      5  -0.986386D+01  0.300984D+02 -0.223548D+02  0.123947D+02 -0.176510D+02
      6   0.378553D+01 -0.606261D+01  0.883148D+01 -0.579437D+01  0.114871D+02
                61            62            63            64            65 
      1   0.458934D+02 -0.650717D+01  0.246404D+02 -0.225898D+02  0.270175D+02
      2  -0.263239D+02  0.460671D+01 -0.188650D+02  0.674170D+01 -0.245562D+02
      3  -0.195694D+02  0.190046D+01 -0.577539D+01  0.158481D+02 -0.246132D+01
      4  -0.187880D+02  0.119606D+02 -0.208994D+02  0.215489D+02  0.702549D+01
      5   0.468093D+02 -0.196244D+02  0.299392D+02  0.140567D+02 -0.148255D+02
      6  -0.924502D+01  0.109704D+02 -0.805539D+01 -0.959262D+01  0.139544D+02
                66            67            68            69            70 
      1   0.997739D+01  0.200581D+02  0.274907D+02 -0.168419D+02  0.162756D+02
      2   0.536913D+01 -0.164620D+02 -0.243603D+02  0.106690D+02  0.496782D+01
      3  -0.153465D+02 -0.359609D+01 -0.313036D+01  0.617292D+01 -0.212434D+02
      4  -0.192743D+02  0.813322D+01  0.177193D+01  0.951471D+01 -0.244697D+02
      5  -0.172478D+02 -0.162481D+02  0.752644D+01 -0.100673D+02 -0.229325D+02
      6   0.591915D+01  0.115617D+02  0.110025D+00  0.337994D+01  0.804537D+01
                71            72            73            74            75 
      1  -0.193291D+02 -0.214645D+02  0.401745D+00 -0.126001D+02 -0.199121D+02
      2   0.980578D+01  0.227383D+02 -0.627338D+00  0.100218D+02  0.120547D+02
      3   0.952335D+01 -0.127378D+01  0.225593D+00  0.257835D+01  0.785732D+01
      4   0.131201D+02  0.178195D+01 -0.110212D+02  0.535811D+01 -0.141803D+01
      5  -0.477681D+01 -0.274938D+02 -0.987584D+01  0.286651D+01 -0.208083D+02
      6   0.346859D+01  0.651597D+01 -0.368173D+01  0.630097D+01 -0.657067D+01
                76            77            78            79            80 
      1  -0.159005D+02  0.163468D+02  0.654881D+01 -0.214129D+02  0.251238D+01
      2   0.163042D+02 -0.154642D+01 -0.493398D+01  0.129173D+02 -0.175278D+01
      3  -0.403714D+00 -0.148003D+02 -0.161483D+01  0.849564D+01 -0.759605D+00
      4   0.136179D+02  0.341242D+02  0.430314D+01  0.445000D+01  0.904151D+01
      5   0.948748D+01 -0.162013D+01 -0.108330D+02 -0.337368D+02 -0.142697D+02
      6   0.329516D+01 -0.742878D+00 -0.376807D+01 -0.123225D+02 -0.560770D+01
                81            82            83            84            85 
      1  -0.215446D+02 -0.179293D+02 -0.495673D+00  0.142338D+02  0.151906D+01
      2   0.143701D+02  0.160683D+02  0.612674D+01 -0.135681D+02  0.256901D+01
      3   0.717444D+01  0.186099D+01 -0.563107D+01 -0.665759D+00 -0.408807D+01
      4  -0.189450D+02  0.122900D+01  0.102993D+02  0.253394D+01  0.946188D+01
      5   0.909170D+01  0.628062D+01 -0.269175D+01  0.184794D+01 -0.570802D+01
      6   0.762972D+01  0.920879D+01 -0.627048D+01  0.317198D+01 -0.376537D+01
                86            87            88            89            90 
      1   0.907957D+01  0.444807D+01  0.165584D+02  0.947251D+01  0.136089D+02
      2  -0.398274D+01 -0.812752D+01 -0.158759D+02 -0.157809D+02 -0.154940D+02
      3  -0.509683D+01  0.367945D+01 -0.682465D+00  0.630834D+01  0.188503D+01
      4  -0.241609D+01 -0.120229D+02  0.100380D+01 -0.173026D+02 -0.231612D+01
      5  -0.609410D+01 -0.320823D+01  0.343018D+01 -0.461044D+01 -0.120950D+00
      6  -0.160168D+02 -0.133126D+02  0.329723D+01 -0.179600D+02 -0.231789D+01
                91            92            93            94            95 
      1  -0.567161D+02 -0.276798D+02 -0.140399D+02 -0.116174D+02  0.184577D+02
      2   0.244338D+02  0.215989D+02  0.106804D+02  0.129007D+02 -0.414722D+01
      3   0.322823D+02  0.608089D+01  0.335953D+01 -0.128332D+01 -0.143105D+02
      4  -0.245171D+02  0.145549D+02 -0.467123D+01  0.194331D+02  0.137949D+02
      5  -0.121238D+02 -0.190483D+01  0.114561D+02 -0.172424D+01 -0.728143D+01
      6  -0.586674D+01  0.190090D+01  0.708464D+01 -0.100081D+00 -0.828993D+01
                96            97            98            99           100 
      1   0.313505D+01 -0.209925D+02  0.733620D+00  0.196793D+02  0.496323D+02
      2  -0.723767D+01  0.114687D+02 -0.978073D+01 -0.831202D+01 -0.257577D+02
      3   0.410262D+01  0.952381D+01  0.904711D+01 -0.113673D+02 -0.238746D+02
      4  -0.569522D+01 -0.603085D+01 -0.528378D+01 -0.127942D+02  0.221864D+02
      5  -0.907393D+01  0.469221D+01 -0.151071D+02  0.243298D+02  0.223107D+02
      6  -0.357403D+01  0.263896D+01 -0.104698D+02  0.125546D+02  0.527486D+01
               101           102           103           104           105 
      1   0.882598D+01  0.185012D+02  0.288952D+01  0.424281D+01 -0.558496D+00
      2  -0.262442D+01 -0.103533D+02  0.181996D+00 -0.114666D+01  0.160271D+01
      3  -0.620156D+01 -0.814795D+01 -0.307151D+01 -0.309615D+01 -0.104421D+01
      4   0.127896D+02  0.737817D+01  0.981554D+01  0.351923D+01  0.503167D+01
      5   0.343372D+01  0.183130D+02  0.134074D+01  0.519706D+01  0.284646D+01
      6   0.176918D+01  0.516593D+01  0.211871D+01  0.229750D+01  0.355957D+01
               106           107           108           109           110 
      1   0.302568D+02  0.289316D+01  0.163623D+02  0.215029D+02  0.778801D+01
      2  -0.173384D+02  0.681444D+00 -0.123584D+02 -0.123026D+02 -0.353599D+01
      3  -0.129184D+02 -0.357460D+01 -0.400388D+01 -0.920031D+01 -0.425201D+01
      4   0.135015D+02  0.105149D+02  0.111827D+02  0.168281D+02  0.100977D+02
      5   0.248015D+02  0.695116D+01  0.203740D+02 -0.162585D+02 -0.672040D+01
      6   0.703599D+01  0.457286D+01  0.606621D+01 -0.705603D+01 -0.417770D+01
               111           112           113           114           115 
      1  -0.777715D+01  0.656754D+01 -0.827883D+00 -0.985418D+00 -0.162580D+02
      2   0.546403D+01 -0.217567D+01  0.342529D+01 -0.813285D+00  0.118279D+02
      3   0.231312D+01 -0.439186D+01 -0.259741D+01  0.179870D+01  0.443007D+01
      4  -0.862398D+01  0.124345D+02  0.975146D+01 -0.105494D+02 -0.190633D+02
      5   0.175144D+02 -0.733863D+01 -0.925144D+01  0.877211D+01  0.301332D+02
      6   0.624470D+01 -0.584930D+01 -0.667422D+01  0.803532D+01  0.127977D+02
               116           117           118           119           120 
      1  -0.255228D+01  0.837131D+01 -0.149214D+01  0.170049D+00 -0.139613D+01
      2  -0.323369D+00 -0.133154D+02 -0.523843D+01  0.892097D+00 -0.422904D+01
      3   0.287565D+01  0.494407D+01  0.673057D+01 -0.106215D+01  0.562517D+01
      4  -0.181009D+02  0.182205D+02 -0.269253D+00  0.371982D+01  0.511046D+00
      5   0.141659D+02 -0.348975D+02  0.800781D+01 -0.836225D+00  0.111846D+02
      6   0.110382D+02 -0.166377D+02  0.329146D+00  0.125347D+01  0.206222D+00
               121           122           123           124           125 
      1   0.546397D+01 -0.435200D+01  0.271555D+01 -0.836413D+01  0.561683D+00
      2  -0.140580D+01 -0.327320D+00  0.139100D+01 -0.546435D+01  0.317871D+01
      3  -0.405817D+01  0.467932D+01 -0.410655D+01  0.138285D+02 -0.374040D+01
      4   0.376979D+01  0.409723D+00  0.284680D+01  0.133307D+01  0.373725D+01
      5  -0.130263D+01  0.296696D+01 -0.208631D+01  0.162919D+02 -0.268749D+01
      6   0.159292D+01 -0.147037D+01  0.644308D+01  0.144925D+01  0.462231D+01
               126           127           128           129           130 
      1  -0.230351D+02 -0.348535D+01  0.716708D+01 -0.560146D+01  0.448499D+01
      2  -0.182016D+02  0.324159D+01 -0.934257D+01  0.493727D+01 -0.520132D+01
      3   0.412367D+02  0.243757D+00  0.217549D+01  0.664184D+00  0.716330D+00
      4  -0.430030D+00 -0.553305D+01  0.118405D+00 -0.223079D+01  0.181706D+01
      5   0.225008D+02 -0.478531D+00  0.590754D+00 -0.816703D+00  0.455111D+00
      6   0.639887D+00 -0.534474D+01  0.392172D+01 -0.570042D+01  0.257721D+01
               131           132           133           134           135 
      1  -0.126086D+02  0.495704D+01 -0.873605D+01  0.946884D+01 -0.129827D+02
      2   0.148556D+02 -0.504204D+01  0.604399D+01 -0.107303D+02  0.872597D+01
      3  -0.224705D+01  0.849951D-01  0.269205D+01  0.126146D+01  0.425678D+01
      4   0.299413D+00  0.786232D+00 -0.491399D+01 -0.552654D+00 -0.767613D+00
      5  -0.798444D+00  0.168654D+01 -0.436750D-01  0.247622D+01 -0.403152D+01
      6  -0.480427D+01  0.840786D+01 -0.436804D+01  0.109040D+02 -0.127933D+02
               136           137           138           139           140 
      1  -0.866824D+00  0.348637D+01  0.543440D+00  0.220332D+01 -0.295931D+02
      2   0.242938D+01 -0.191267D+01  0.384566D+00  0.342224D+00  0.394818D+02
      3  -0.156256D+01 -0.157370D+01 -0.928005D+00 -0.254554D+01 -0.988874D+01
      4   0.494436D+01  0.721196D+01  0.322078D+01  0.777933D+01  0.198979D+02
      5   0.111787D+01  0.293157D+01  0.328469D+01  0.253549D+01  0.867763D+01
      6   0.344313D+01  0.963079D+00 -0.251152D+00  0.180933D+01  0.255195D+02
               141           142           143           144           145 
      1  -0.142700D+02 -0.311645D-01 -0.202186D+02 -0.172579D+02 -0.737842D+01
      2   0.156746D+02  0.215887D+01  0.216698D+02  0.121669D+02  0.674216D+01
      3  -0.140455D+01 -0.212771D+01 -0.145121D+01  0.509095D+01  0.636253D+00
      4   0.935450D+01  0.522260D+01  0.139449D+02  0.868046D+01  0.268652D+01
      5   0.602915D+01  0.329819D+01  0.910307D+01  0.815770D+01  0.387275D+01
      6   0.184237D+02  0.910270D+00  0.238855D+02  0.208190D+02  0.567109D+01
               146           147           148           149           150 
      1  -0.106153D+02 -0.623195D+01 -0.874618D+01 -0.210231D+02 -0.657923D+01
      2   0.117322D+02  0.171023D+01  0.102432D+02  0.242152D+02  0.166977D+01
      3  -0.111699D+01  0.452172D+01 -0.149703D+01 -0.319204D+01  0.490946D+01
      4   0.535156D-01  0.100245D+01  0.242225D+01 -0.592329D+01 -0.224984D+01
      5   0.426440D+01  0.231646D+01  0.615858D+01  0.262608D+01 -0.226129D+01
      6   0.953613D+01  0.377602D+01  0.675575D+01  0.171902D+02  0.902291D+01
               151           152           153           154           155 
      1  -0.200105D+01 -0.785424D+00 -0.197526D+01 -0.600334D+01  0.275398D+01
      2  -0.518085D-01 -0.174144D+01  0.101226D+01 -0.163715D+01  0.285635D+01
      3   0.205286D+01  0.252687D+01  0.962995D+00  0.764049D+01 -0.561033D+01
      4   0.977530D+00  0.319785D+00 -0.513609D+00  0.253288D+01 -0.277730D+01
      5   0.260741D+01 -0.362152D+00  0.304760D+00  0.201614D+01 -0.695703D+00
      6   0.168999D+01  0.481914D+01  0.175359D+01 -0.230583D+01  0.540115D+01
               156           157           158           159           160 
      1  -0.897933D+01  0.433949D+01 -0.883720D+01  0.100633D+02 -0.532536D+01
      2  -0.219970D+01  0.127655D+01  0.150413D+01  0.439464D+01 -0.124134D+01
      3   0.111790D+02 -0.561604D+01  0.733307D+01 -0.144580D+02  0.656670D+01
      4   0.315837D+01 -0.303963D+01  0.703569D+01 -0.411717D+01  0.307057D+01
      5   0.317494D+01 -0.214527D+01  0.542236D+00  0.371419D+01  0.489541D+01
      6  -0.294585D+01  0.409160D+01 -0.885172D+01  0.560820D+01 -0.306249D+01
               161           162           163           164           165 
      1   0.607977D+01 -0.954661D+01  0.163230D+02 -0.155331D+01 -0.301699D+01
      2   0.235071D+01 -0.646975D+01 -0.172646D+02  0.299651D+01  0.149782D+02
      3  -0.843048D+01  0.160164D+02  0.941659D+00 -0.144320D+01 -0.119612D+02
      4  -0.315852D+01  0.359176D+01 -0.131467D+02  0.995127D+01  0.975367D+01
      5  -0.926976D-01 -0.208046D+01 -0.323094D+02  0.103490D+02  0.304379D+02
      6   0.595875D+01 -0.462222D+01  0.839325D+01 -0.746824D+01 -0.991323D+01
               166           167           168           169           170 
      1  -0.130237D+01 -0.159757D+01 -0.118628D+01 -0.401016D+01 -0.943747D+00
      2   0.195340D+01  0.238340D+00 -0.642741D+00  0.124370D+02 -0.179568D+01
      3  -0.651023D+00  0.135923D+01  0.182902D+01 -0.842680D+01  0.273943D+01
      4   0.731378D+01 -0.575455D+01 -0.683499D+01  0.804731D+01 -0.620430D+01
      5   0.638238D+01 -0.709249D+01 -0.604361D+01  0.241962D+02 -0.824493D+01
      6  -0.484575D+01  0.601098D+01  0.780900D+01 -0.748420D+01  0.744504D+01
               171           172           173           174           175 
      1  -0.238643D+01  0.153670D+02 -0.222431D+01  0.918002D+01  0.468556D+01
      2  -0.160679D+02 -0.112795D+02  0.102687D+01 -0.103198D+02 -0.337235D+01
      3   0.184543D+02 -0.408757D+01  0.119743D+01  0.113981D+01 -0.131321D+01
      4  -0.829739D+01 -0.585439D+01  0.341557D+01 -0.140533D+01  0.809663D+00
      5  -0.282636D+02  0.140324D+02  0.923062D+00  0.188277D+02  0.607697D+01
      6   0.103176D+02 -0.299734D+01  0.296233D+00 -0.556254D+01 -0.335425D+00
               176           177           178           179           180 
      1  -0.173660D+01  0.433187D+01  0.133592D+02  0.247962D+01  0.818471D+01
      2  -0.158553D+00 -0.692193D+01 -0.141826D+02 -0.487631D+01 -0.235313D+02
      3   0.189516D+01  0.259006D+01  0.823409D+00  0.239670D+01  0.153466D+02
      4   0.383918D+01  0.409725D+01 -0.496290D+01  0.869552D+01 -0.486157D+01
      5   0.449988D+01  0.853730D+01  0.259805D+02 -0.103122D+01  0.453008D+02
      6   0.300223D+00  0.163921D+01 -0.792671D+01  0.546123D+01 -0.160039D+02
               181           182           183           184           185 
      1  -0.873676D+01 -0.197697D+02  0.220407D+01 -0.143026D+02 -0.331144D+02
      2   0.882431D+01  0.221714D+02 -0.251641D+01  0.110681D+02  0.451612D+02
      3  -0.875531D-01 -0.240176D+01  0.312343D+00  0.323449D+01 -0.120468D+02
      4   0.118511D+01 -0.711458D+01  0.335199D+01  0.489751D+01 -0.261116D+02
      5  -0.304901D+01  0.175869D+01 -0.107055D+01 -0.811614D+00  0.226464D+01
      6  -0.109342D+01 -0.630931D+01  0.456322D+01 -0.256861D+01 -0.117280D+02
               186           187           188           189           190 
      1   0.656121D+01 -0.238689D+00  0.615298D+01 -0.352451D+01  0.589220D+02
      2  -0.577681D+01 -0.132944D+01 -0.421799D+01  0.257387D+01 -0.231493D+02
      3  -0.784396D+00  0.156813D+01 -0.193500D+01  0.950636D+00 -0.357727D+02
      4   0.338517D+01  0.225850D+01  0.988553D+00 -0.305408D+01 -0.392340D+02
      5  -0.418111D+01  0.277689D+01 -0.330401D+01  0.405468D+01 -0.137789D+02
      6   0.833239D+01  0.964939D+00  0.763431D+01 -0.396715D+01  0.678550D+01
               191           192           193           194           195 
      1  -0.188093D+02 -0.139508D+02 -0.118133D+02  0.508963D+01  0.388246D+01
      2   0.349267D+01  0.448590D+01  0.566486D+00  0.477809D+01 -0.668116D-01
      3   0.153166D+02  0.946493D+01  0.112468D+02 -0.986773D+01 -0.381565D+01
      4   0.231234D+02  0.992163D+01  0.189533D+02 -0.160119D+02 -0.669123D+01
      5   0.546753D+01  0.149184D+02  0.456498D+01 -0.488612D+01 -0.243824D+01
      6  -0.375031D+01 -0.696941D+01 -0.360460D+01  0.196884D+01  0.316116D+01
               196           197           198           199           200 
      1  -0.265302D+02  0.847718D+01  0.118828D+02  0.762928D-01  0.145052D+01
      2   0.902783D+01  0.278081D+00 -0.721754D+01 -0.541768D+00  0.351232D-01
      3   0.175024D+02 -0.875526D+01 -0.466524D+01  0.465476D+00 -0.148564D+01
      4   0.212963D+02 -0.165046D+02 -0.927373D+01  0.332557D+01  0.506343D+01
      5   0.170957D+02 -0.617998D+01 -0.121315D+02 -0.101341D+01 -0.182454D+01
      6  -0.802046D+01  0.437385D+01  0.666505D+01 -0.228474D+01 -0.613794D+00
               201           202           203           204           205 
      1  -0.128726D+01  0.243369D+01 -0.129796D+02  0.608712D+01 -0.145117D+01
      2   0.502806D+00 -0.709788D+00  0.130980D+02 -0.245962D+01  0.293744D+01
      3   0.784456D+00 -0.172390D+01 -0.118363D+00 -0.362749D+01 -0.148628D+01
      4  -0.931334D+00  0.516501D+01  0.887089D+01 -0.298070D+01 -0.111169D+01
      5   0.119195D+01 -0.225884D+01 -0.376399D+01  0.246986D+01  0.190243D+01
      6   0.454191D+00 -0.544104D+00 -0.108196D+02  0.645811D+01  0.206753D+01
               206           207           208           209           210 
      1   0.472555D+01 -0.104405D+01 -0.958945D+00 -0.203407D+01  0.475175D+00
      2  -0.255961D+01  0.712560D+00  0.258869D+01  0.142096D+01 -0.175470D+00
      3  -0.216594D+01  0.331493D+00 -0.162974D+01  0.613111D+00 -0.299705D+00
      4  -0.140256D+01  0.367048D+00 -0.158069D+01  0.461616D+01 -0.108534D+01
      5   0.162302D+01 -0.263824D+00  0.940575D+00 -0.536890D+00  0.728233D+00
      6   0.454245D+01 -0.342336D+01 -0.890671D+00  0.108800D+01 -0.480785D-01
               211           212           213           214           215 
      1  -0.504667D+01 -0.202145D+02  0.309677D+01  0.240293D+01  0.446383D+01
      2   0.234283D+01  0.262553D+02 -0.300509D+01 -0.240714D+00 -0.491065D+01
      3   0.270384D+01 -0.604077D+01 -0.916831D-01 -0.216222D+01  0.446820D+00
      4   0.347837D+01 -0.195428D+02  0.299649D+01 -0.171005D+01  0.504463D+01
      5  -0.624305D+00  0.228784D+01 -0.260788D+01 -0.993823D+00 -0.204056D+01
      6   0.465926D+00 -0.184611D+01  0.481640D+01  0.164006D+01  0.348754D+01
               216           217           218           219           220 
      1  -0.384290D+01  0.457191D+01  0.608778D+01 -0.606661D+01  0.484375D+01
      2   0.319672D+01 -0.356343D+01 -0.474780D+01  0.198938D+01 -0.245979D+01
      3   0.646178D+00 -0.100848D+01 -0.133998D+01  0.407723D+01 -0.238396D+01
      4  -0.243875D+01  0.195968D+01 -0.329782D+01 -0.105266D+01  0.250154D+01
      5   0.154542D+01 -0.306900D+01  0.434950D+00 -0.655244D+00 -0.453360D+00
      6  -0.217996D+01 -0.230607D+01  0.108879D+01 -0.263626D+01 -0.106932D+01
               221           222           223           224           225 
      1  -0.771927D+01  0.461616D+01 -0.904715D+01  0.484659D+01 -0.166309D+02
      2   0.615754D+01 -0.359835D+01  0.459480D+01 -0.308043D+01 -0.362694D+01
      3   0.156174D+01 -0.101781D+01  0.445234D+01 -0.176615D+01  0.202579D+02
      4   0.807137D+01 -0.648230D+01 -0.976987D+01 -0.157018D+02  0.136566D+02
      5  -0.694840D+01  0.860056D+01  0.871844D+01  0.156898D+02 -0.423968D+02
      6  -0.560186D+01  0.940529D+01  0.303712D+01  0.132302D+02 -0.229736D+02
               226           227           228           229           230 
      1   0.848407D+02  0.199792D+02  0.611671D+01  0.872760D+01  0.831821D+01
      2  -0.384755D+02 -0.526705D+01 -0.269212D+01 -0.253199D+00 -0.851839D+00
      3  -0.463652D+02 -0.147122D+02 -0.342459D+01 -0.847440D+01 -0.746637D+01
      4   0.423595D+02  0.229116D+02  0.340099D+01  0.152799D+02  0.965466D+01
      5   0.336579D+01  0.116587D+01  0.125369D+02  0.726552D+00  0.191335D+01
      6   0.291294D+01  0.633167D+00  0.432147D+01  0.669810D-01  0.120342D+01
               231           232           233           234           235 
      1   0.264676D+00  0.123491D+02  0.254533D+01  0.735459D+01 -0.509739D+01
      2   0.101795D+01 -0.599302D+01  0.346378D+00 -0.441184D+01  0.515939D+01
      3  -0.128263D+01 -0.635612D+01 -0.289171D+01 -0.294274D+01 -0.619962D-01
      4   0.231484D+01  0.685578D+01  0.504425D+01  0.629404D+01 -0.447265D+00
      5   0.235854D+01  0.115951D+02  0.483832D+01  0.263669D+01  0.425359D+01
      6   0.216857D+01  0.382544D+01  0.303176D+01  0.788308D+00  0.358650D+01
               236           237           238           239           240 
      1   0.149490D+02  0.884976D+01  0.150676D+02 -0.210492D+02 -0.848523D+01
      2  -0.151800D+02 -0.615772D+01 -0.982662D+01  0.264490D+02  0.956052D+01
      3   0.230976D+00 -0.269204D+01 -0.524098D+01 -0.539978D+01 -0.107529D+01
      4  -0.968586D+01 -0.227589D+00  0.250164D+01  0.203207D+02  0.621566D+01
      5  -0.212948D+01 -0.535123D+01 -0.267221D+01  0.764372D+01  0.938807D+01
      6  -0.408106D+01 -0.533952D+01 -0.212885D+01  0.861508D+01  0.838052D+01
               241           242           243 
      1   0.106731D+02 -0.981373D+01 -0.127587D+02
      2  -0.544506D+01  0.122051D+02  0.805505D+01
      3  -0.522807D+01 -0.239139D+01  0.470369D+01
      4   0.360457D+01  0.122504D+02  0.822231D+01
      5  -0.943211D+00  0.102803D+02  0.712184D+01
      6  -0.204415D+01  0.107446D+02  0.781394D+01
 Leave Link  716 at Fri Aug 13 11:40:13 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163996D+03 -0.641779D+01  0.687208D+01
      2  -0.641779D+01  0.118076D+03 -0.310226D+01
      3   0.687208D+01 -0.310226D+01  0.100898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.249077D+01 -0.176971D+01 -0.103613D+02
      2   0.416001D+02 -0.141518D+02 -0.333247D+02
      3   0.785944D-01  0.190189D+02  0.120100D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.628007D+02 -0.187411D+02  0.351316D+02
      2  -0.154597D+02  0.185275D+02 -0.175960D+02
      3  -0.473410D+02  0.213597D+00 -0.175356D+02
      4  -0.219039D+01 -0.326623D+02 -0.327463D+02
      5   0.310857D+02 -0.307930D+02 -0.826486D+02
      6  -0.100741D+02 -0.393917D+01  0.257757D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.305471D+01 -0.180559D+01 -0.363804D+01 -0.121454D+01 -0.368773D+01
      2  -0.180559D+01 -0.364706D+01  0.212816D+01 -0.368773D+01 -0.176690D+01
      3  -0.363804D+01  0.212816D+01  0.330691D+01  0.205601D+01 -0.176203D+01
                 6             7             8             9            10 
      1   0.205601D+01 -0.325486D+01  0.251135D+01  0.302917D+01 -0.201978D+02
      2  -0.176203D+01  0.251135D+01 -0.123418D+01  0.871492D+00  0.417156D+01
      3   0.134930D+01  0.302917D+01  0.871492D+00  0.986722D+00  0.284786D+01
                11            12            13            14            15 
      1   0.417156D+01  0.284786D+01  0.111262D+02  0.157533D+01 -0.232298D+01
      2   0.259517D+01 -0.208661D+01  0.157533D+01  0.431476D+01  0.135894D+01
      3  -0.208661D+01 -0.310374D+01 -0.232298D+01  0.135894D+01 -0.786993D+00
                16            17            18            19            20 
      1   0.124618D+02 -0.360179D+01 -0.487761D+01  0.339799D+02 -0.459275D+01
      2  -0.360179D+01  0.228509D+01 -0.294868D+00 -0.459275D+01  0.256990D+01
      3  -0.487761D+01 -0.294868D+00 -0.264699D+01  0.762453D+00  0.815766D+00
                21            22            23            24            25 
      1   0.762453D+00 -0.949910D+01  0.321948D+01  0.184759D+01 -0.415306D+01
      2   0.815766D+00  0.321948D+01  0.199282D+01 -0.178038D+01  0.217549D+01
      3   0.257881D+01  0.184759D+01 -0.178038D+01 -0.188459D+01  0.621271D+01
                26            27            28            29            30 
      1   0.217549D+01  0.621271D+01 -0.510665D+02  0.558270D+01 -0.468288D+01
      2  -0.243013D+01 -0.169479D+01  0.558270D+01 -0.248157D+01 -0.477424D-01
      3  -0.169479D+01  0.505088D+01 -0.468288D+01 -0.477424D-01 -0.231688D+01
                31            32            33            34            35 
      1   0.147194D+02 -0.482977D+01  0.101460D+01 -0.132497D+02  0.135116D+00
      2  -0.482977D+01 -0.186437D+01  0.111468D+01  0.135116D+00  0.113875D+01
      3   0.101460D+01  0.111468D+01  0.134099D+01 -0.704637D+01  0.130180D+01
                36            37            38            39            40 
      1  -0.704637D+01  0.505158D+02 -0.737420D+01  0.677919D+01 -0.112202D+02
      2   0.130180D+01 -0.737420D+01  0.135257D+01 -0.523081D+00  0.383607D+01
      3  -0.486422D+01  0.677919D+01 -0.523081D+00  0.242672D+01 -0.580039D+00
                41            42            43            44            45 
      1   0.383607D+01 -0.580039D+00  0.143597D+02 -0.100866D+01  0.592071D+01
      2   0.269922D+01 -0.149955D+01 -0.100866D+01 -0.181415D+01 -0.145802D+01
      3  -0.149955D+01 -0.160931D+01  0.592071D+01 -0.145802D+01  0.272587D+01
                46            47            48            49            50 
      1  -0.371855D+02  0.729133D+01 -0.712821D+01  0.835083D+01 -0.374844D+01
      2   0.729133D+01 -0.206766D+01  0.187910D+01 -0.374844D+01 -0.141568D+01
      3  -0.712821D+01  0.187910D+01 -0.120445D+01  0.270737D+01 -0.103833D+00
                51            52            53            54            55 
      1   0.270737D+01 -0.993523D+01  0.270360D+01 -0.203382D+01  0.306697D+02
      2  -0.103833D+00  0.270360D+01  0.709643D-01  0.918306D+00 -0.658752D+01
      3   0.114222D+01 -0.203382D+01  0.918306D+00 -0.866561D+00  0.529314D+01
                56            57            58            59            60 
      1  -0.658752D+01  0.529314D+01 -0.211291D+02  0.706430D+01 -0.384234D+01
      2   0.331410D+01 -0.128185D+01  0.706430D+01 -0.572689D+01  0.187175D+01
      3  -0.128185D+01  0.226448D+01 -0.384234D+01  0.187175D+01 -0.203835D+01
                61            62            63            64            65 
      1   0.108278D+02 -0.191118D+01  0.588137D+01  0.549982D+01 -0.248868D+01
      2  -0.191118D+01  0.115871D+01 -0.262218D+01 -0.248868D+01 -0.314988D+01
      3   0.588137D+01 -0.262218D+01  0.363048D+01 -0.213529D+01  0.260686D+01
                66            67            68            69            70 
      1  -0.213529D+01 -0.217523D+01 -0.247697D+01  0.275014D+01 -0.388007D+01
      2   0.260686D+01 -0.247697D+01 -0.319131D+01 -0.481183D+00  0.283804D+01
      3   0.276634D+01  0.275014D+01 -0.481183D+00  0.157356D+01  0.367069D+01
                71            72            73            74            75 
      1   0.283804D+01  0.367069D+01  0.249285D+01  0.182194D+01  0.145035D+01
      2  -0.891777D+00  0.768617D+00  0.182194D+01 -0.230890D+01 -0.787145D+00
      3   0.768617D+00  0.425190D+01  0.145035D+01 -0.787145D+00  0.284025D+01
                76            77            78            79            80 
      1   0.297032D+01 -0.294675D+01 -0.171313D+01 -0.486414D+00 -0.125929D+01
      2  -0.294675D+01 -0.546659D+01 -0.345431D+00 -0.125929D+01 -0.961052D+00
      3  -0.171313D+01 -0.345431D+00  0.138439D+01  0.466914D+01  0.191659D+01
                81            82            83            84            85 
      1   0.466914D+01  0.275314D+01 -0.243341D+01 -0.201995D+01 -0.303217D+01
      2   0.191659D+01 -0.243341D+01 -0.167683D+01  0.171453D+01 -0.216199D+01
      3  -0.113673D+01 -0.201995D+01  0.171453D+01 -0.849148D+00  0.142627D+01
                86            87            88            89            90 
      1  -0.216199D+01  0.142627D+01 -0.187209D+01  0.199813D+01 -0.116318D+01
      2   0.859354D+00  0.269048D+01  0.199813D+01  0.378952D+01  0.242933D+01
      3   0.269048D+01  0.209220D+01 -0.116318D+01  0.242933D+01 -0.502310D+00
                91            92            93            94            95 
      1  -0.829056D+01 -0.191899D+01 -0.203277D+01  0.479668D+00  0.342087D+01
      2  -0.191899D+01  0.316477D+01 -0.450409D-02  0.342087D+01  0.849035D+00
      3  -0.203277D+01 -0.450409D-02  0.164849D+01  0.316523D-01 -0.112257D+01
                96            97            98            99           100 
      1   0.316523D-01 -0.309159D+01 -0.133497D+00  0.578640D+00 -0.640022D+01
      2  -0.112257D+01 -0.133497D+00 -0.114005D+01 -0.257926D+01 -0.154938D+01
      3  -0.181544D+01  0.578640D+00 -0.257926D+01  0.371848D+01 -0.264860D+01
               101           102           103           104           105 
      1  -0.154938D+01 -0.264860D+01 -0.415963D+00 -0.847582D+00 -0.139222D+00
      2  -0.126191D+01 -0.458013D+00 -0.847582D+00 -0.167614D+00 -0.563302D+00
      3  -0.458013D+00 -0.219305D+01 -0.139222D+00 -0.563302D+00 -0.373218D+00
               106           107           108           109           110 
      1  -0.471256D+01 -0.738742D+00 -0.301005D+01 -0.300503D+01 -0.152359D+01
      2  -0.738742D+00 -0.138241D+01 -0.999276D+00 -0.152359D+01 -0.772978D+00
      3  -0.301005D+01 -0.999276D+00 -0.272201D+01  0.181223D+01  0.801545D+00
               111           112           113           114           115 
      1   0.181223D+01 -0.903795D+00 -0.123042D+01  0.965880D+00  0.435437D+01
      2   0.801545D+00 -0.123042D+01 -0.126417D+01  0.130781D+01  0.185356D+01
      3  -0.198012D+01  0.965880D+00  0.130781D+01 -0.126362D+01 -0.386893D+01
               116           117           118           119           120 
      1   0.185356D+01 -0.386893D+01 -0.501416D+01  0.102462D+01 -0.181284D+01
      2   0.230885D+01 -0.197406D+01  0.102462D+01 -0.581751D+00  0.422978D-01
      3  -0.197406D+01  0.504776D+01 -0.181284D+01  0.422978D-01 -0.172038D+01
               121           122           123           124           125 
      1   0.440243D+01 -0.117423D+01  0.139428D+00 -0.352855D+01 -0.692577D-01
      2  -0.117423D+01  0.218302D+00 -0.982671D+00 -0.692577D-01 -0.118106D+01
      3   0.139428D+00 -0.982671D+00  0.106624D+01 -0.325614D+01  0.948233D+00
               126           127           128           129           130 
      1  -0.325614D+01  0.220342D+01 -0.255489D+00  0.888752D+00 -0.344223D+00
      2   0.948233D+00 -0.255489D+00  0.153379D+01 -0.793274D+00  0.858101D+00
      3  -0.837258D+01  0.888752D+00 -0.793274D+00  0.127203D+01 -0.520109D+00
               131           132           133           134           135 
      1   0.858101D+00 -0.520109D+00  0.172797D+01 -0.679430D+00  0.844930D+00
      2  -0.224953D+01  0.841920D+00 -0.679430D+00  0.190325D+01 -0.168057D+01
      3   0.841920D+00 -0.117853D+01  0.844930D+00 -0.168057D+01  0.287438D+01
               136           137           138           139           140 
      1  -0.733218D+00 -0.928841D+00 -0.448455D+00 -0.373596D+00 -0.381876D+00
      2  -0.928841D+00 -0.790044D-01 -0.197058D+00 -0.381876D+00 -0.692254D+01
      3  -0.448455D+00 -0.197058D+00  0.366415D-01 -0.254438D+00 -0.326117D+01
               141           142           143           144           145 
      1  -0.254438D+00 -0.101812D+01 -0.484145D+00  0.794697D-01  0.242338D+01
      2  -0.326117D+01 -0.484145D+00 -0.463233D+01 -0.332364D+01  0.182195D+01
      3  -0.237213D+01  0.794697D-01 -0.332364D+01 -0.315474D+01  0.541227D+00
               146           147           148           149           150 
      1   0.182195D+01  0.541227D+00  0.183346D+01  0.227758D+01  0.207150D+00
      2   0.276298D+01  0.534607D+00  0.227758D+01  0.534769D+01  0.136615D+01
      3   0.534607D+00  0.792906D+00  0.207150D+00  0.136615D+01  0.147007D+01
               151           152           153           154           155 
      1  -0.312061D+00  0.155251D-01  0.291647D+00  0.196154D+01 -0.834224D+00
      2   0.155251D-01  0.101359D+00  0.578857D+00 -0.834224D+00  0.150068D+01
      3   0.291647D+00  0.578857D+00  0.199340D+00  0.119406D+01 -0.673484D+00
               156           157           158           159           160 
      1   0.119406D+01 -0.134696D+01  0.132187D+01 -0.817709D+00  0.945718D+00
      2  -0.673484D+00  0.132187D+01 -0.232198D+01  0.121850D+01 -0.674983D+00
      3   0.154762D+01 -0.817709D+00  0.121850D+01 -0.254241D+01  0.815865D+00
               161           162           163           164           165 
      1  -0.674983D+00  0.815865D+00 -0.527666D+01  0.155223D+01  0.356074D+01
      2   0.112147D+01 -0.121607D+01  0.155223D+01 -0.123949D+01 -0.145034D+01
      3  -0.121607D+01  0.244850D+01  0.356074D+01 -0.145034D+01 -0.425202D+01
               166           167           168           169           170 
      1   0.734341D+00 -0.688995D+00 -0.815714D+00  0.237444D+01 -0.100253D+01
      2  -0.688995D+00  0.117401D+01  0.123633D+01 -0.100253D+01  0.105847D+01
      3  -0.815714D+00  0.123633D+01  0.825858D+00 -0.304962D+01  0.119461D+01
               171           172           173           174           175 
      1  -0.304962D+01 -0.233380D+01  0.278408D+00 -0.161510D+01 -0.872159D+00
      2   0.119461D+01  0.278408D+00 -0.103804D+00 -0.163974D+00  0.885016D-01
      3   0.433515D+01 -0.161510D+01 -0.163974D+00 -0.215074D+01 -0.761773D+00
               176           177           178           179           180 
      1   0.885016D-01 -0.761773D+00 -0.243947D+01  0.183314D+00 -0.315756D+01
      2  -0.456901D+00 -0.722759D+00  0.183314D+00 -0.142113D+01  0.168698D+00
      3  -0.722759D+00 -0.134928D+01 -0.315756D+01  0.168698D+00 -0.681594D+01
               181           182           183           184           185 
      1   0.135981D+01  0.127683D+01  0.513292D-01  0.160795D+01  0.953917D+00
      2   0.127683D+01  0.363548D+01 -0.832468D+00  0.953917D+00  0.755015D+01
      3   0.513292D-01 -0.832468D+00  0.655747D+00 -0.281497D+00 -0.111621D+01
               186           187           188           189           190 
      1  -0.281497D+00  0.339947D+00 -0.471038D+00 -0.785152D-01 -0.771754D+01
      2  -0.111621D+01 -0.471038D+00 -0.563832D+00  0.986860D+00  0.326113D+01
      3   0.106683D+01 -0.785152D-01  0.986860D+00 -0.808996D+00  0.192422D+01
               191           192           193           194           195 
      1   0.326113D+01  0.192422D+01  0.167441D+01 -0.168568D+01 -0.796412D+00
      2  -0.201007D+01 -0.850661D+00 -0.168568D+01  0.202227D+01  0.635035D+00
      3  -0.850661D+00 -0.185239D+01 -0.796412D+00  0.635035D+00  0.336276D+00
               196           197           198           199           200 
      1   0.452149D+01 -0.206391D+01 -0.215445D+01 -0.395114D+00  0.136799D+01
      2  -0.206391D+01  0.193800D+01  0.793259D+00  0.136799D+01  0.813002D+00
      3  -0.215445D+01  0.793259D+00  0.155526D+01 -0.658165D+00 -0.100158D+00
               201           202           203           204           205 
      1  -0.658165D+00  0.190677D+01  0.932655D+00  0.654598D-01 -0.193270D+01
      2  -0.100158D+00  0.932655D+00  0.577681D+01 -0.171842D+01  0.419012D+00
      3  -0.788128D-01  0.654598D-01 -0.171842D+01  0.130297D+01  0.851317D+00
               206           207           208           209           210 
      1   0.419012D+00  0.851317D+00  0.244379D+00 -0.106077D+01  0.441496D+00
      2  -0.140904D+01  0.838165D+00 -0.106077D+01 -0.201605D+00 -0.417180D-01
      3   0.838165D+00 -0.442577D+00  0.441496D+00 -0.417180D-01  0.131303D+00
               211           212           213           214           215 
      1  -0.216360D+01 -0.306983D+00 -0.751152D-01  0.704324D+00 -0.136740D+00
      2  -0.306983D+00 -0.659077D+01  0.110015D+01 -0.136740D+00  0.150063D+01
      3  -0.751152D-01  0.110015D+01 -0.107525D+01 -0.310394D+00 -0.747739D+00
               216           217           218           219           220 
      1  -0.310394D+00  0.110565D+01  0.263461D+00 -0.526468D+00  0.113263D+01
      2  -0.747739D+00  0.263461D+00 -0.932220D+00  0.169432D+00  0.714958D-01
      3   0.366449D+00 -0.526468D+00  0.169432D+00 -0.624195D+00 -0.164766D-01
               221           222           223           224           225 
      1   0.714958D-01 -0.164766D-01 -0.192392D+01 -0.937685D+00  0.585063D+00
      2   0.143106D+01 -0.110431D+01 -0.937685D+00 -0.238713D+01  0.234916D+01
      3  -0.110431D+01  0.136855D+01  0.585063D+00  0.234916D+01 -0.660173D+01
               226           227           228           229           230 
      1   0.983876D+01  0.286124D+01  0.743073D+00  0.142566D+01  0.111666D+01
      2   0.286124D+01  0.189735D+01  0.203509D+00  0.111666D+01  0.766470D+00
      3   0.743073D+00  0.203509D+00  0.123747D+01  0.134697D+00  0.309345D+00
               231           232           233           234           235 
      1   0.134697D+00  0.156079D+01  0.482822D+00  0.111029D+01 -0.486717D+00
      2   0.309345D+00  0.482822D+00  0.593325D+00  0.620434D+00  0.778034D+00
      3   0.325442D+00  0.111029D+01  0.620434D+00  0.210107D+00  0.105665D+01
               236           237           238           239           240 
      1   0.778034D+00  0.105665D+01  0.232654D+01 -0.569412D+00 -0.409292D+00
      2  -0.262507D+01 -0.603729D+00 -0.569412D+00  0.440329D+01  0.151272D+01
      3  -0.603729D+00 -0.117980D+01 -0.409292D+00  0.151272D+01  0.164424D+01
               241           242           243 
      1   0.161209D+01 -0.143093D+00 -0.534378D+00
      2  -0.143093D+00  0.247991D+01  0.190608D+01
      3  -0.534378D+00  0.190608D+01  0.153411D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.995568D+00 -0.104539D+02  0.175587D+01 -0.107777D+02 -0.267840D+01
      2   0.688838D+01  0.530178D+00  0.460630D+01 -0.530958D+00  0.112233D+02
      3  -0.207524D+01 -0.104141D+02 -0.700810D+00 -0.614676D+01 -0.720108D+01
                 6             7             8             9            10 
      1  -0.797488D+01  0.192556D+01 -0.191557D+01  0.284409D+01 -0.787589D+01
      2  -0.656268D+01 -0.153928D+01 -0.557782D+01 -0.705806D+01 -0.242283D+02
      3  -0.143436D+00  0.131712D+01 -0.564637D-01  0.409509D+01  0.404363D+01
                11            12            13            14            15 
      1   0.552442D+01  0.215743D+01  0.579792D+01 -0.828166D+00 -0.374433D+01
      2   0.779205D+01  0.113825D+02  0.148632D+02 -0.653560D+01  0.203443D+01
      3   0.560506D+01 -0.176233D+01  0.126772D+02  0.138452D+02  0.172388D+01
                16            17            18            19            20 
      1   0.370487D+01  0.563332D+01  0.819059D+00  0.103684D+02 -0.404711D+01
      2   0.135141D+02  0.997439D+00  0.334202D+01  0.257841D+02 -0.571327D+01
      3  -0.305039D+01  0.577783D+00 -0.352357D+01 -0.363653D+01 -0.459871D+01
                21            22            23            24            25 
      1  -0.244542D+01 -0.532475D+01 -0.494545D+01 -0.617542D+00 -0.638691D+01
      2   0.119682D+01 -0.122876D+02  0.525020D+01  0.388968D+01 -0.180029D+02
      3  -0.812885D+00  0.838016D+01 -0.145654D+01 -0.680256D+00 -0.207787D+01
                26            27            28            29            30 
      1   0.465145D+01  0.275437D+01 -0.107078D+02  0.170788D+01  0.126861D+01
      2   0.363087D+01  0.266362D+01 -0.298528D+02  0.295646D+01 -0.722765D+01
      3  -0.696726D+00 -0.143185D+01  0.462577D+01  0.237949D+01  0.217529D+01
                31            32            33            34            35 
      1   0.256412D+01  0.297181D+01 -0.179616D+01  0.451413D+01  0.294723D+01
      2   0.861092D+01 -0.321728D+01  0.138341D+01 -0.409539D+02  0.343560D+01
      3   0.180833D+02 -0.146291D+01  0.123309D+01  0.701289D+01  0.110460D+01
                36            37            38            39            40 
      1  -0.127510D+01  0.823244D+01 -0.149030D+01 -0.215364D+01 -0.716957D+01
      2  -0.101275D+02  0.373357D+02 -0.410416D+01  0.122675D+02 -0.667380D+01
      3   0.462896D+00  0.292523D+01 -0.657018D+01 -0.146785D+01  0.922236D+01
                41            42            43            44            45 
      1   0.542615D+00 -0.205116D+01 -0.464607D+01  0.122651D+01 -0.422139D+00
      2  -0.828706D+00  0.531056D+00  0.124889D+02 -0.963831D+00  0.704274D+01
      3  -0.117047D+02  0.456855D+01 -0.441502D+01  0.292374D+01  0.248509D+00
                46            47            48            49            50 
      1  -0.693069D+01 -0.143195D+01  0.702520D+01 -0.171043D+01  0.666676D+01
      2  -0.217417D+02  0.391808D+01 -0.173217D+02  0.300245D+01 -0.162985D+01
      3  -0.865153D+01  0.918669D+01  0.223081D+01  0.180454D+02  0.268299D+01
                51            52            53            54            55 
      1   0.432151D+01  0.332445D+01  0.140852D+02 -0.338099D+01  0.389909D+01
      2   0.346977D+01 -0.265025D+02 -0.320149D+00 -0.834162D+01  0.169486D+02
      3   0.282198D+01  0.108263D+01  0.512624D+01 -0.164027D+01  0.457219D+01
                56            57            58            59            60 
      1   0.162610D+01 -0.873704D+00 -0.151167D+01 -0.252997D+01 -0.504261D+01
      2  -0.385833D+01  0.181313D+02 -0.114887D+02  0.617095D+01 -0.117657D+02
      3  -0.178708D+02  0.414186D+00 -0.771702D+01  0.189511D+02 -0.388221D+01
                61            62            63            64            65 
      1   0.178628D+01 -0.398580D+00  0.213447D+01  0.565687D+01 -0.372482D+01
      2   0.149972D+02 -0.570097D+01  0.137826D+02  0.955161D+01 -0.101306D+02
      3  -0.128007D+00 -0.741004D+01  0.506989D+01  0.506154D+00 -0.182736D+02
                66            67            68            69            70 
      1  -0.732169D+01 -0.374568D+01  0.358936D+01 -0.392761D+01 -0.104524D+02
      2  -0.836133D+01 -0.917201D+01  0.237917D+00 -0.282195D+01 -0.159981D+02
      3   0.525158D+01 -0.788141D+01 -0.178184D+02  0.360981D+01  0.403856D+01
                71            72            73            74            75 
      1   0.203647D+01 -0.879093D+01  0.384814D+01 -0.349945D+01  0.362517D+01
      2   0.237329D+00 -0.111655D+02 -0.198300D+01  0.175492D+01 -0.869598D+01
      3   0.370603D+01  0.886403D+01  0.733634D+01 -0.160051D+02 -0.733108D+01
                76            77            78            79            80 
      1  -0.245096D+01 -0.293691D+01 -0.581212D-01  0.675487D+01  0.555716D+01
      2   0.507001D+01  0.183837D+01 -0.508451D+01 -0.215187D+02 -0.753437D+01
      3  -0.905198D+01 -0.143221D+02  0.211697D+00 -0.782646D+01  0.956427D+00
                81            82            83            84            85 
      1  -0.145884D+01 -0.368550D+01  0.630452D+01 -0.255599D+01  0.866251D+01
      2   0.480952D+01  0.401412D+01 -0.312092D+01  0.255653D+01 -0.531752D+01
      3   0.137387D+01 -0.101893D+02  0.362096D+00  0.804954D+01  0.837352D+01
                86            87            88            89            90 
      1   0.913545D+01  0.128144D+01 -0.162524D+01  0.850273D+01 -0.140025D+01
      2  -0.383408D+01 -0.126991D+01 -0.139441D+01 -0.330758D+00  0.375620D+00
      3   0.490894D+01 -0.140429D+01  0.104821D+02 -0.919882D+00  0.619143D+01
                91            92            93            94            95 
      1   0.293491D+01 -0.252004D+01 -0.529509D+01  0.148197D+00  0.228454D+01
      2  -0.924654D+01 -0.694647D-01  0.804020D+01  0.841565D+00 -0.295112D+01
      3  -0.146273D+01 -0.186109D+02 -0.358005D+01 -0.876202D+01  0.171019D+01
                96            97            98            99           100 
      1  -0.805463D+00  0.313102D+01  0.102150D+02 -0.653922D+01 -0.333034D+01
      2  -0.455126D+01 -0.212796D+01 -0.997745D+01  0.132917D+02  0.781692D+01
      3   0.445227D+01 -0.301249D+01  0.583285D+01  0.123277D+02  0.380104D+01
               101           102           103           104           105 
      1   0.436759D+00 -0.324405D+01 -0.704330D-01 -0.560621D+00 -0.131608D+01
      2   0.106929D+01  0.911686D+01  0.724002D+00  0.151718D+01  0.135035D+01
      3  -0.392316D+01  0.203786D+01 -0.143432D+00  0.969720D+00 -0.161646D+01
               106           107           108           109           110 
      1  -0.356548D+01  0.489447D+00 -0.381859D+01  0.207323D+01  0.694470D-01
      2   0.706190D+01  0.266688D+01  0.918964D+01 -0.348186D+01 -0.233322D+01
      3   0.357791D+01 -0.496258D+01  0.678830D+00  0.309791D+00 -0.215952D+01
               111           112           113           114           115 
      1  -0.284348D+01  0.155791D+01  0.971757D+00 -0.234461D+01 -0.423187D+01
      2   0.739817D+01 -0.182513D+01 -0.423012D+01  0.428951D+01  0.932820D+01
      3   0.362100D+00 -0.161304D+00 -0.260891D+01  0.263838D+01  0.419939D+00
               116           117           118           119           120 
      1   0.959652D+00  0.706747D+01 -0.142712D+01  0.143521D+01 -0.376269D+00
      2   0.581338D+01 -0.165273D+02 -0.338958D+01  0.125048D+01  0.106217D+01
      3   0.668294D+01 -0.151402D+01  0.918346D+00 -0.170697D+01  0.599133D+00
               121           122           123           124           125 
      1   0.241157D+01 -0.175126D+00  0.610589D+00  0.165720D+01  0.390197D+01
      2   0.495965D+01 -0.735079D+00 -0.759618D+00 -0.349821D+01 -0.827047D+00
      3   0.118578D+01 -0.705456D-01 -0.604681D+00  0.900358D+00 -0.159019D+01
               126           127           128           129           130 
      1  -0.269069D+01  0.243363D+01 -0.193654D+01  0.385769D+01 -0.161899D+01
      2   0.460576D+01 -0.249543D+01  0.889143D+00 -0.438559D+00  0.999135D+00
      3   0.107019D+01 -0.841581D+01  0.171886D+01 -0.412560D+01  0.335919D+01
               131           132           133           134           135 
      1   0.188516D+01 -0.379803D+01  0.255943D+01 -0.225043D+01  0.841136D+01
      2  -0.107750D+01  0.107894D+01 -0.305852D+01  0.196242D+01 -0.280045D+01
      3  -0.535452D+01  0.279836D+01 -0.706001D+01  0.431682D+01 -0.584249D+01
               136           137           138           139           140 
      1  -0.339773D+00 -0.586209D+00  0.308166D+00  0.192003D+00 -0.335727D+01
      2   0.320861D-01 -0.902680D-01  0.447686D+00 -0.713433D+00  0.313840D+01
      3  -0.103105D+01  0.838606D+00  0.407134D+00  0.423787D+01 -0.998143D+01
               141           142           143           144           145 
      1  -0.629402D+01  0.541281D+00 -0.364788D+01 -0.668973D+01  0.385600D+01
      2   0.249627D+01 -0.220751D+01  0.338633D+01  0.356737D+01 -0.746237D+01
      3  -0.439164D+01  0.241401D+01 -0.567068D+01 -0.544107D+01  0.821892D+01
               146           147           148           149           150 
      1   0.549752D+01 -0.130081D+01  0.480162D+01  0.879670D+01 -0.171147D+01
      2  -0.498149D+01 -0.118702D+01 -0.585659D+01 -0.786341D+01 -0.179363D+01
      3   0.540474D+01  0.118558D+01  0.868264D+01  0.103199D+02  0.258575D+01
               151           152           153           154           155 
      1  -0.910887D+00  0.891228D+00  0.130909D+01 -0.376865D+01  0.536052D+01
      2  -0.147828D+01 -0.869863D+00 -0.771553D+00 -0.850929D+01  0.372301D+01
      3  -0.108054D+01 -0.290366D-01  0.145815D+01 -0.490521D+00  0.417123D+00
               156           157           158           159           160 
      1  -0.204133D+01  0.444865D+01 -0.801233D+01  0.242303D+01 -0.208425D+01
      2  -0.343724D+01  0.584590D+01 -0.557422D+01  0.531806D+01 -0.471949D+01
      3   0.434535D-01  0.262026D+01 -0.134111D+01  0.967838D+00 -0.447270D+00
               161           162           163           164           165 
      1   0.457340D+01 -0.385068D+01 -0.865441D+00 -0.195628D+01  0.212738D+01
      2   0.357288D+01 -0.521887D+01  0.356507D+01  0.353495D+00  0.396744D+01
      3   0.311589D+00 -0.119555D+01 -0.204184D+01 -0.269351D+01  0.250930D+00
               166           167           168           169           170 
      1  -0.226173D+00  0.108366D+01  0.156472D+00  0.103611D+01  0.258758D+01
      2  -0.112947D+01 -0.146980D+01 -0.270203D-01 -0.297540D+01  0.184614D-01
      3   0.535005D+00  0.191868D+01  0.133151D+01  0.168502D+01  0.171461D+01
               171           172           173           174           175 
      1  -0.261061D+01  0.258068D+01  0.109560D+01  0.412755D+01  0.753803D+00
      2  -0.303640D+01  0.286377D+01  0.548048D+00  0.657569D+01  0.913739D+00
      3  -0.765503D+00 -0.244481D+01 -0.920235D+00 -0.314544D+01  0.160294D+00
               176           177           178           179           180 
      1   0.233938D+01  0.183759D+01  0.495691D+01  0.404280D+01  0.115996D+02
      2   0.227144D+01  0.382408D+01  0.496839D+01  0.100758D+00  0.190049D+02
      3  -0.178723D+01 -0.310479D+01 -0.341838D+01 -0.538158D+01 -0.462231D+01
               181           182           183           184           185 
      1  -0.971993D+00 -0.529216D+00 -0.187213D+01 -0.380645D+00 -0.248355D+01
      2   0.130653D+01  0.300655D+01 -0.660854D+00  0.226708D+01  0.404844D+01
      3   0.911213D+01  0.127097D+02 -0.230848D+01  0.923256D+01  0.253907D+02
               186           187           188           189           190 
      1  -0.375416D+01  0.216824D+00 -0.770220D-01  0.120093D+01 -0.539270D+01
      2  -0.261772D+01 -0.644955D+00 -0.287397D+01  0.203520D+01 -0.935768D+01
      3  -0.410888D+01 -0.148712D+01 -0.297020D+01  0.286882D+01 -0.375446D+01
               191           192           193           194           195 
      1   0.221628D+01  0.477960D+01  0.248232D+01 -0.197472D+01 -0.201796D+01
      2   0.443032D+01  0.951099D+01  0.374341D+01 -0.306129D+01 -0.210271D+01
      3  -0.328722D+01  0.704286D+00 -0.428103D-01  0.408545D+01  0.460013D+00
               196           197           198           199           200 
      1   0.446982D+01 -0.765271D+00 -0.363173D+01  0.295456D+00 -0.118020D+01
      2   0.757504D+01 -0.309670D+01 -0.714958D+01 -0.388387D+00  0.124920D+01
      3   0.771309D+00  0.372722D+01 -0.118629D+01  0.157425D+00 -0.780734D-01
               201           202           203           204           205 
      1  -0.568295D+00 -0.205549D+01 -0.526217D+01 -0.187048D+01 -0.555795D+01
      2  -0.435689D+00  0.231524D+01  0.838849D+00  0.769936D+00 -0.276700D+01
      3   0.726087D-01  0.331016D+01 -0.271502D+01  0.218267D+00 -0.151127D+01
               206           207           208           209           210 
      1   0.208209D+01 -0.873149D+00  0.108460D+01  0.114492D-01 -0.231370D+00
      2   0.158519D+00  0.555599D+00  0.207610D+01 -0.297721D+00  0.353523D+00
      3   0.696989D+00 -0.788683D+00  0.346416D+01  0.782181D+00 -0.340144D+00
               211           212           213           214           215 
      1  -0.329560D+00  0.777963D+00 -0.358695D+01 -0.205627D+01  0.341675D+00
      2  -0.259753D+00  0.312984D+01 -0.220879D+01 -0.368397D+01 -0.175219D+01
      3   0.570170D+01  0.134278D+02 -0.250235D+01 -0.208996D+01 -0.295460D+01
               216           217           218           219           220 
      1   0.407859D+00 -0.149734D-01 -0.370413D+00  0.150143D+01 -0.106502D+01
      2   0.524602D+00 -0.151359D+01  0.834516D+00 -0.204193D+01  0.151179D+01
      3   0.162476D+01 -0.932594D+00  0.291392D+01 -0.186457D+01  0.101852D+01
               221           222           223           224           225 
      1   0.120587D+01 -0.272369D+01 -0.149797D+01 -0.275506D+01  0.116923D+02
      2  -0.351642D+01  0.449823D+01  0.400031D-01  0.809935D+01 -0.226312D+02
      3  -0.529505D+01  0.365109D+01 -0.300055D+00  0.670878D+01 -0.861231D+01
               226           227           228           229           230 
      1  -0.212707D+01 -0.567913D+00 -0.230820D+01 -0.589005D+00 -0.582167D+00
      2   0.535853D+01  0.157011D+01  0.675268D+01  0.106450D+01  0.137163D+01
      3   0.407051D+01 -0.531569D+01  0.580722D+00  0.280166D+00 -0.101296D+01
               231           232           233           234           235 
      1  -0.134866D+01 -0.114463D+01 -0.209853D-01 -0.429818D+00 -0.821043D+00
      2   0.151457D+01  0.300962D+01  0.189586D+01  0.126928D+01  0.354530D+01
      3  -0.938813D+00  0.575720D+00 -0.191451D+01 -0.105450D+01 -0.572709D+01
               236           237           238           239           240 
      1   0.300865D+01  0.289737D+01  0.176921D+01 -0.437320D+01 -0.429921D+01
      2  -0.272734D+01 -0.310594D+01 -0.147759D+01  0.548796D+01  0.511714D+01
      3   0.110674D+02  0.462372D+01  0.680983D+01 -0.172880D+02 -0.645806D+01
               241           242           243 
      1   0.373104D+00 -0.385236D+01 -0.392778D+01
      2  -0.192135D+01  0.705890D+01  0.533139D+01
      3   0.362732D+01 -0.983011D+01 -0.871572D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566592D+01  0.629060D+01  0.731662D+01  0.413981D+01  0.182626D+02
      2   0.506727D+01 -0.185252D+02 -0.111720D+02 -0.152641D+02 -0.102334D+02
      3  -0.107332D+02  0.122346D+02  0.385541D+01  0.111242D+02 -0.802923D+01
      4   0.771341D+01  0.638082D+01 -0.122960D+02  0.795208D+01 -0.286897D+01
      5   0.202298D+02 -0.124693D+02 -0.241136D+02 -0.121903D+02 -0.304971D+01
      6  -0.811918D+01 -0.691093D+01  0.115826D+02 -0.752194D+01 -0.573254D+01
                 6             7             8             9            10 
      1  -0.887889D+01  0.447557D+01 -0.113223D+02 -0.176465D+02 -0.403815D+01
      2  -0.394705D+00 -0.858829D+01  0.133242D+01  0.824890D+01  0.309082D+00
      3   0.927359D+01  0.411272D+01  0.998985D+01  0.939763D+01  0.372906D+01
      4   0.690747D+01 -0.142225D+02  0.726458D+01  0.349967D+01 -0.142278D+02
      5   0.171065D+01 -0.231283D+02  0.535297D+01  0.716224D+01 -0.100326D+02
      6  -0.357224D+01  0.109993D+02 -0.255804D+01  0.611912D+01  0.736477D+01
                11            12            13            14            15 
      1  -0.860299D+01 -0.987629D+00 -0.223937D+00 -0.242146D+02  0.786546D+01
      2   0.110255D+02  0.797700D+00  0.210957D+01  0.109783D+02 -0.124791D+01
      3  -0.242252D+01  0.189929D+00 -0.188564D+01  0.132363D+02 -0.661754D+01
      4  -0.131599D+02  0.109875D+02 -0.173276D+02 -0.178263D+02 -0.692461D+01
      5   0.104707D+02  0.133146D+02  0.119677D+02 -0.239253D+01  0.532311D+01
      6  -0.681781D+01 -0.196078D+01 -0.258948D+01  0.970336D+01 -0.955121D+00
                16            17            18            19            20 
      1  -0.708137D+00  0.128337D+02  0.136841D+02  0.348384D+02  0.730267D+01
      2  -0.571659D+01 -0.334739D+01 -0.968965D+01 -0.161125D+02 -0.884226D+01
      3   0.642473D+01 -0.948634D+01 -0.399443D+01 -0.187259D+02  0.153959D+01
      4   0.162263D+02 -0.128044D+02  0.145926D+01  0.925455D+01 -0.623380D+01
      5   0.203977D+02  0.127292D+01  0.900300D+01 -0.619676D+01 -0.186877D+01
      6  -0.294561D+01 -0.681471D+00 -0.763608D+01 -0.740181D+01 -0.802130D+00
                21            22            23            24            25 
      1   0.466350D+01  0.196422D+01  0.232895D+01 -0.307823D+01  0.180963D+02
      2   0.221364D+01 -0.363812D+01 -0.621552D+01  0.554573D+00  0.725740D+01
      3  -0.687714D+01  0.167390D+01  0.388657D+01  0.252365D+01 -0.253537D+02
      4  -0.406700D+01 -0.622075D+01 -0.249046D+01  0.437888D+01 -0.111354D+02
      5  -0.625670D+01 -0.505617D+01  0.121101D+01  0.389561D+01 -0.162633D+02
      6  -0.161000D+00 -0.166245D+01 -0.386374D+01  0.279029D+01 -0.173305D+01
                26            27            28            29            30 
      1  -0.757912D+01  0.112192D+02 -0.112758D+03  0.103793D+02 -0.119748D+02
      2   0.373389D+01  0.126479D+02  0.465319D+02 -0.565751D+01  0.476549D+01
      3   0.384523D+01 -0.238671D+02  0.662262D+02 -0.472178D+01  0.720934D+01
      4   0.871565D+01  0.145323D+01  0.174551D+02 -0.928512D+01  0.129551D+01
      5   0.465492D+01 -0.147659D+02 -0.219938D+01 -0.747644D+00 -0.809781D+01
      6   0.351177D+01  0.118864D+01  0.805336D+01  0.209695D+01  0.130171D+01
                31            32            33            34            35 
      1   0.459042D+02 -0.761018D+01  0.148319D+01 -0.391979D+02 -0.100389D+01
      2  -0.218862D+02  0.251086D+01  0.232344D+00  0.112517D+02  0.344197D+01
      3  -0.240180D+02  0.509932D+01 -0.171554D+01  0.279462D+02 -0.243808D+01
      4  -0.156359D+02 -0.255609D+01  0.720971D+00  0.729140D+01 -0.306497D+01
      5   0.704686D+01  0.177625D+01  0.167045D+01 -0.735358D+01  0.273875D+00
      6   0.134397D+01  0.845060D+01 -0.760681D+00  0.204449D+00  0.307444D+01
                36            37            38            39            40 
      1  -0.300619D+02  0.161316D+03 -0.244684D+02  0.283209D+02 -0.225084D+02
      2   0.279114D+00 -0.698889D+02  0.104957D+02 -0.100903D+02  0.681113D+01
      3   0.297828D+02 -0.914271D+02  0.139727D+02 -0.182305D+02  0.156973D+02
      4   0.473886D+01 -0.463943D+02  0.147039D+02 -0.573172D+01  0.166698D+02
      5  -0.121482D+02  0.217288D+02 -0.193193D+01  0.177547D+02  0.281373D+01
      6   0.320328D+01 -0.909931D+01 -0.106504D+01 -0.237781D+01 -0.109953D+01
                41            42            43            44            45 
      1   0.128762D+02 -0.702405D+01  0.387414D+02 -0.849235D+01  0.849721D+01
      2  -0.110227D+02  0.265035D+01 -0.173207D+02  0.691511D+01 -0.745481D+01
      3  -0.185347D+01  0.437370D+01 -0.214207D+02  0.157724D+01 -0.104240D+01
      4   0.120986D+02 -0.452305D+01 -0.577809D+01 -0.600091D+01 -0.615283D+01
      5  -0.628679D+01 -0.180559D+01  0.284615D+02 -0.623650D+01  0.606278D+01
      6   0.388563D+01  0.350964D+01 -0.864049D+01  0.685421D+01  0.660081D+00
                46            47            48            49            50 
      1  -0.146858D+03  0.359712D+02 -0.250873D+02  0.534967D+02 -0.238796D+02
      2   0.660568D+02 -0.162414D+02  0.141111D+02 -0.325211D+02  0.544226D+01
      3   0.808013D+02 -0.197298D+02  0.109762D+02 -0.209756D+02  0.184374D+02
      4   0.660642D+02 -0.346131D+02  0.152484D+02 -0.365321D+02 -0.802298D+01
      5  -0.386740D+02  0.112877D+02 -0.235849D+02  0.213320D+02 -0.206220D+01
      6   0.147857D+02 -0.572285D+01  0.270745D+01  0.461515D-01  0.387876D+01
                51            52            53            54            55 
      1   0.133989D+02 -0.493586D+02  0.123691D+02 -0.150475D+02  0.160112D+03
      2  -0.111620D+02  0.236401D+02 -0.358044D+01  0.302305D+01 -0.776867D+02
      3  -0.223697D+01  0.257186D+02 -0.878870D+01  0.120245D+02 -0.824257D+02
      4  -0.189432D+01  0.268171D+02 -0.456056D+01  0.759580D+01 -0.654656D+02
      5   0.525484D+01 -0.869194D+01  0.546768D+01 -0.121194D+02  0.337178D+02
      6  -0.599745D+01  0.771400D+00  0.172206D+01  0.477322D+01 -0.776880D+01
                56            57            58            59            60 
      1  -0.393235D+02  0.250896D+02 -0.930492D+02  0.301471D+02 -0.134998D+02
      2   0.148187D+02 -0.155520D+02  0.379496D+02 -0.312358D+01  0.787667D+01
      3   0.245048D+02 -0.953766D+01  0.550996D+02 -0.270236D+02  0.562311D+01
      4   0.428485D+02 -0.118514D+02  0.685453D+02 -0.503524D+02  0.149841D+02
      5  -0.986386D+01  0.300984D+02 -0.223548D+02  0.123947D+02 -0.176510D+02
      6   0.378553D+01 -0.606261D+01  0.883148D+01 -0.579437D+01  0.114871D+02
                61            62            63            64            65 
      1   0.458934D+02 -0.650717D+01  0.246404D+02 -0.225898D+02  0.270175D+02
      2  -0.263239D+02  0.460671D+01 -0.188650D+02  0.674170D+01 -0.245562D+02
      3  -0.195694D+02  0.190046D+01 -0.577539D+01  0.158481D+02 -0.246132D+01
      4  -0.187880D+02  0.119606D+02 -0.208994D+02  0.215489D+02  0.702549D+01
      5   0.468093D+02 -0.196244D+02  0.299392D+02  0.140567D+02 -0.148255D+02
      6  -0.924502D+01  0.109704D+02 -0.805539D+01 -0.959262D+01  0.139544D+02
                66            67            68            69            70 
      1   0.997739D+01  0.200581D+02  0.274907D+02 -0.168419D+02  0.162756D+02
      2   0.536913D+01 -0.164620D+02 -0.243603D+02  0.106690D+02  0.496782D+01
      3  -0.153465D+02 -0.359609D+01 -0.313036D+01  0.617292D+01 -0.212434D+02
      4  -0.192743D+02  0.813322D+01  0.177193D+01  0.951471D+01 -0.244697D+02
      5  -0.172478D+02 -0.162481D+02  0.752644D+01 -0.100673D+02 -0.229325D+02
      6   0.591915D+01  0.115617D+02  0.110025D+00  0.337994D+01  0.804537D+01
                71            72            73            74            75 
      1  -0.193291D+02 -0.214645D+02  0.401745D+00 -0.126001D+02 -0.199121D+02
      2   0.980578D+01  0.227383D+02 -0.627338D+00  0.100218D+02  0.120547D+02
      3   0.952335D+01 -0.127378D+01  0.225593D+00  0.257835D+01  0.785732D+01
      4   0.131201D+02  0.178195D+01 -0.110212D+02  0.535811D+01 -0.141803D+01
      5  -0.477681D+01 -0.274938D+02 -0.987584D+01  0.286651D+01 -0.208083D+02
      6   0.346859D+01  0.651597D+01 -0.368173D+01  0.630097D+01 -0.657067D+01
                76            77            78            79            80 
      1  -0.159005D+02  0.163468D+02  0.654881D+01 -0.214129D+02  0.251238D+01
      2   0.163042D+02 -0.154642D+01 -0.493398D+01  0.129173D+02 -0.175278D+01
      3  -0.403714D+00 -0.148003D+02 -0.161483D+01  0.849564D+01 -0.759605D+00
      4   0.136179D+02  0.341242D+02  0.430314D+01  0.445000D+01  0.904151D+01
      5   0.948748D+01 -0.162013D+01 -0.108330D+02 -0.337368D+02 -0.142697D+02
      6   0.329516D+01 -0.742878D+00 -0.376807D+01 -0.123225D+02 -0.560770D+01
                81            82            83            84            85 
      1  -0.215446D+02 -0.179293D+02 -0.495673D+00  0.142338D+02  0.151906D+01
      2   0.143701D+02  0.160683D+02  0.612674D+01 -0.135681D+02  0.256901D+01
      3   0.717444D+01  0.186099D+01 -0.563107D+01 -0.665759D+00 -0.408807D+01
      4  -0.189450D+02  0.122900D+01  0.102993D+02  0.253394D+01  0.946188D+01
      5   0.909170D+01  0.628062D+01 -0.269175D+01  0.184794D+01 -0.570802D+01
      6   0.762972D+01  0.920879D+01 -0.627048D+01  0.317198D+01 -0.376537D+01
                86            87            88            89            90 
      1   0.907957D+01  0.444807D+01  0.165584D+02  0.947251D+01  0.136089D+02
      2  -0.398274D+01 -0.812752D+01 -0.158759D+02 -0.157809D+02 -0.154940D+02
      3  -0.509683D+01  0.367945D+01 -0.682465D+00  0.630834D+01  0.188503D+01
      4  -0.241609D+01 -0.120229D+02  0.100380D+01 -0.173026D+02 -0.231612D+01
      5  -0.609410D+01 -0.320823D+01  0.343018D+01 -0.461044D+01 -0.120950D+00
      6  -0.160168D+02 -0.133126D+02  0.329723D+01 -0.179600D+02 -0.231789D+01
                91            92            93            94            95 
      1  -0.567161D+02 -0.276798D+02 -0.140399D+02 -0.116174D+02  0.184577D+02
      2   0.244338D+02  0.215989D+02  0.106804D+02  0.129007D+02 -0.414722D+01
      3   0.322823D+02  0.608089D+01  0.335953D+01 -0.128332D+01 -0.143105D+02
      4  -0.245171D+02  0.145549D+02 -0.467123D+01  0.194331D+02  0.137949D+02
      5  -0.121238D+02 -0.190483D+01  0.114561D+02 -0.172424D+01 -0.728143D+01
      6  -0.586674D+01  0.190090D+01  0.708464D+01 -0.100081D+00 -0.828993D+01
                96            97            98            99           100 
      1   0.313505D+01 -0.209925D+02  0.733620D+00  0.196793D+02  0.496323D+02
      2  -0.723767D+01  0.114687D+02 -0.978073D+01 -0.831202D+01 -0.257577D+02
      3   0.410262D+01  0.952381D+01  0.904711D+01 -0.113673D+02 -0.238746D+02
      4  -0.569522D+01 -0.603085D+01 -0.528378D+01 -0.127942D+02  0.221864D+02
      5  -0.907393D+01  0.469221D+01 -0.151071D+02  0.243298D+02  0.223107D+02
      6  -0.357403D+01  0.263896D+01 -0.104698D+02  0.125546D+02  0.527486D+01
               101           102           103           104           105 
      1   0.882598D+01  0.185012D+02  0.288952D+01  0.424281D+01 -0.558496D+00
      2  -0.262442D+01 -0.103533D+02  0.181996D+00 -0.114666D+01  0.160271D+01
      3  -0.620156D+01 -0.814795D+01 -0.307151D+01 -0.309615D+01 -0.104421D+01
      4   0.127896D+02  0.737817D+01  0.981554D+01  0.351923D+01  0.503167D+01
      5   0.343372D+01  0.183130D+02  0.134074D+01  0.519706D+01  0.284646D+01
      6   0.176918D+01  0.516593D+01  0.211871D+01  0.229750D+01  0.355957D+01
               106           107           108           109           110 
      1   0.302568D+02  0.289316D+01  0.163623D+02  0.215029D+02  0.778801D+01
      2  -0.173384D+02  0.681444D+00 -0.123584D+02 -0.123026D+02 -0.353599D+01
      3  -0.129184D+02 -0.357460D+01 -0.400388D+01 -0.920031D+01 -0.425201D+01
      4   0.135015D+02  0.105149D+02  0.111827D+02  0.168281D+02  0.100977D+02
      5   0.248015D+02  0.695116D+01  0.203740D+02 -0.162585D+02 -0.672040D+01
      6   0.703599D+01  0.457286D+01  0.606621D+01 -0.705603D+01 -0.417770D+01
               111           112           113           114           115 
      1  -0.777715D+01  0.656754D+01 -0.827883D+00 -0.985418D+00 -0.162580D+02
      2   0.546403D+01 -0.217567D+01  0.342529D+01 -0.813285D+00  0.118279D+02
      3   0.231312D+01 -0.439186D+01 -0.259741D+01  0.179870D+01  0.443007D+01
      4  -0.862398D+01  0.124345D+02  0.975146D+01 -0.105494D+02 -0.190633D+02
      5   0.175144D+02 -0.733863D+01 -0.925144D+01  0.877211D+01  0.301332D+02
      6   0.624470D+01 -0.584930D+01 -0.667422D+01  0.803532D+01  0.127977D+02
               116           117           118           119           120 
      1  -0.255228D+01  0.837131D+01 -0.149214D+01  0.170049D+00 -0.139613D+01
      2  -0.323369D+00 -0.133154D+02 -0.523843D+01  0.892097D+00 -0.422904D+01
      3   0.287565D+01  0.494407D+01  0.673057D+01 -0.106215D+01  0.562517D+01
      4  -0.181009D+02  0.182205D+02 -0.269253D+00  0.371982D+01  0.511046D+00
      5   0.141659D+02 -0.348975D+02  0.800781D+01 -0.836225D+00  0.111846D+02
      6   0.110382D+02 -0.166377D+02  0.329146D+00  0.125347D+01  0.206222D+00
               121           122           123           124           125 
      1   0.546397D+01 -0.435200D+01  0.271555D+01 -0.836413D+01  0.561683D+00
      2  -0.140580D+01 -0.327320D+00  0.139100D+01 -0.546435D+01  0.317871D+01
      3  -0.405817D+01  0.467932D+01 -0.410655D+01  0.138285D+02 -0.374040D+01
      4   0.376979D+01  0.409723D+00  0.284680D+01  0.133307D+01  0.373725D+01
      5  -0.130263D+01  0.296696D+01 -0.208631D+01  0.162919D+02 -0.268749D+01
      6   0.159292D+01 -0.147037D+01  0.644308D+01  0.144925D+01  0.462231D+01
               126           127           128           129           130 
      1  -0.230351D+02 -0.348535D+01  0.716708D+01 -0.560146D+01  0.448499D+01
      2  -0.182016D+02  0.324159D+01 -0.934257D+01  0.493727D+01 -0.520132D+01
      3   0.412367D+02  0.243757D+00  0.217549D+01  0.664184D+00  0.716330D+00
      4  -0.430030D+00 -0.553305D+01  0.118405D+00 -0.223079D+01  0.181706D+01
      5   0.225008D+02 -0.478531D+00  0.590754D+00 -0.816703D+00  0.455111D+00
      6   0.639887D+00 -0.534474D+01  0.392172D+01 -0.570042D+01  0.257721D+01
               131           132           133           134           135 
      1  -0.126086D+02  0.495704D+01 -0.873605D+01  0.946884D+01 -0.129827D+02
      2   0.148556D+02 -0.504204D+01  0.604399D+01 -0.107303D+02  0.872597D+01
      3  -0.224705D+01  0.849951D-01  0.269205D+01  0.126146D+01  0.425678D+01
      4   0.299413D+00  0.786232D+00 -0.491399D+01 -0.552654D+00 -0.767613D+00
      5  -0.798444D+00  0.168654D+01 -0.436750D-01  0.247622D+01 -0.403152D+01
      6  -0.480427D+01  0.840786D+01 -0.436804D+01  0.109040D+02 -0.127933D+02
               136           137           138           139           140 
      1  -0.866824D+00  0.348637D+01  0.543440D+00  0.220332D+01 -0.295931D+02
      2   0.242938D+01 -0.191267D+01  0.384566D+00  0.342224D+00  0.394818D+02
      3  -0.156256D+01 -0.157370D+01 -0.928005D+00 -0.254554D+01 -0.988874D+01
      4   0.494436D+01  0.721196D+01  0.322078D+01  0.777933D+01  0.198979D+02
      5   0.111787D+01  0.293157D+01  0.328469D+01  0.253549D+01  0.867763D+01
      6   0.344313D+01  0.963079D+00 -0.251152D+00  0.180933D+01  0.255195D+02
               141           142           143           144           145 
      1  -0.142700D+02 -0.311645D-01 -0.202186D+02 -0.172579D+02 -0.737842D+01
      2   0.156746D+02  0.215887D+01  0.216698D+02  0.121669D+02  0.674216D+01
      3  -0.140455D+01 -0.212771D+01 -0.145121D+01  0.509095D+01  0.636253D+00
      4   0.935450D+01  0.522260D+01  0.139449D+02  0.868046D+01  0.268652D+01
      5   0.602915D+01  0.329819D+01  0.910307D+01  0.815770D+01  0.387275D+01
      6   0.184237D+02  0.910270D+00  0.238855D+02  0.208190D+02  0.567109D+01
               146           147           148           149           150 
      1  -0.106153D+02 -0.623195D+01 -0.874618D+01 -0.210231D+02 -0.657923D+01
      2   0.117322D+02  0.171023D+01  0.102432D+02  0.242152D+02  0.166977D+01
      3  -0.111699D+01  0.452172D+01 -0.149703D+01 -0.319204D+01  0.490946D+01
      4   0.535156D-01  0.100245D+01  0.242225D+01 -0.592329D+01 -0.224984D+01
      5   0.426440D+01  0.231646D+01  0.615858D+01  0.262608D+01 -0.226129D+01
      6   0.953613D+01  0.377602D+01  0.675575D+01  0.171902D+02  0.902291D+01
               151           152           153           154           155 
      1  -0.200105D+01 -0.785424D+00 -0.197526D+01 -0.600334D+01  0.275398D+01
      2  -0.518085D-01 -0.174144D+01  0.101226D+01 -0.163715D+01  0.285635D+01
      3   0.205286D+01  0.252687D+01  0.962995D+00  0.764049D+01 -0.561033D+01
      4   0.977530D+00  0.319785D+00 -0.513609D+00  0.253288D+01 -0.277730D+01
      5   0.260741D+01 -0.362152D+00  0.304760D+00  0.201614D+01 -0.695703D+00
      6   0.168999D+01  0.481914D+01  0.175359D+01 -0.230583D+01  0.540115D+01
               156           157           158           159           160 
      1  -0.897933D+01  0.433949D+01 -0.883720D+01  0.100633D+02 -0.532536D+01
      2  -0.219970D+01  0.127655D+01  0.150413D+01  0.439464D+01 -0.124134D+01
      3   0.111790D+02 -0.561604D+01  0.733307D+01 -0.144580D+02  0.656670D+01
      4   0.315837D+01 -0.303963D+01  0.703569D+01 -0.411717D+01  0.307057D+01
      5   0.317494D+01 -0.214527D+01  0.542236D+00  0.371419D+01  0.489541D+01
      6  -0.294585D+01  0.409160D+01 -0.885172D+01  0.560820D+01 -0.306249D+01
               161           162           163           164           165 
      1   0.607977D+01 -0.954661D+01  0.163230D+02 -0.155331D+01 -0.301699D+01
      2   0.235071D+01 -0.646975D+01 -0.172646D+02  0.299651D+01  0.149782D+02
      3  -0.843048D+01  0.160164D+02  0.941659D+00 -0.144320D+01 -0.119612D+02
      4  -0.315852D+01  0.359176D+01 -0.131467D+02  0.995127D+01  0.975367D+01
      5  -0.926976D-01 -0.208046D+01 -0.323094D+02  0.103490D+02  0.304379D+02
      6   0.595875D+01 -0.462222D+01  0.839325D+01 -0.746824D+01 -0.991323D+01
               166           167           168           169           170 
      1  -0.130237D+01 -0.159757D+01 -0.118628D+01 -0.401016D+01 -0.943747D+00
      2   0.195340D+01  0.238340D+00 -0.642741D+00  0.124370D+02 -0.179568D+01
      3  -0.651023D+00  0.135923D+01  0.182902D+01 -0.842680D+01  0.273943D+01
      4   0.731378D+01 -0.575455D+01 -0.683499D+01  0.804731D+01 -0.620430D+01
      5   0.638238D+01 -0.709249D+01 -0.604361D+01  0.241962D+02 -0.824493D+01
      6  -0.484575D+01  0.601098D+01  0.780900D+01 -0.748420D+01  0.744504D+01
               171           172           173           174           175 
      1  -0.238643D+01  0.153670D+02 -0.222431D+01  0.918002D+01  0.468556D+01
      2  -0.160679D+02 -0.112795D+02  0.102687D+01 -0.103198D+02 -0.337235D+01
      3   0.184543D+02 -0.408757D+01  0.119743D+01  0.113981D+01 -0.131321D+01
      4  -0.829739D+01 -0.585439D+01  0.341557D+01 -0.140533D+01  0.809663D+00
      5  -0.282636D+02  0.140324D+02  0.923062D+00  0.188277D+02  0.607697D+01
      6   0.103176D+02 -0.299734D+01  0.296233D+00 -0.556254D+01 -0.335425D+00
               176           177           178           179           180 
      1  -0.173660D+01  0.433187D+01  0.133592D+02  0.247962D+01  0.818471D+01
      2  -0.158553D+00 -0.692193D+01 -0.141826D+02 -0.487631D+01 -0.235313D+02
      3   0.189516D+01  0.259006D+01  0.823409D+00  0.239670D+01  0.153466D+02
      4   0.383918D+01  0.409725D+01 -0.496290D+01  0.869552D+01 -0.486157D+01
      5   0.449988D+01  0.853730D+01  0.259805D+02 -0.103122D+01  0.453008D+02
      6   0.300223D+00  0.163921D+01 -0.792671D+01  0.546123D+01 -0.160039D+02
               181           182           183           184           185 
      1  -0.873676D+01 -0.197697D+02  0.220407D+01 -0.143026D+02 -0.331144D+02
      2   0.882431D+01  0.221714D+02 -0.251641D+01  0.110681D+02  0.451612D+02
      3  -0.875531D-01 -0.240176D+01  0.312343D+00  0.323449D+01 -0.120468D+02
      4   0.118511D+01 -0.711458D+01  0.335199D+01  0.489751D+01 -0.261116D+02
      5  -0.304901D+01  0.175869D+01 -0.107055D+01 -0.811614D+00  0.226464D+01
      6  -0.109342D+01 -0.630931D+01  0.456322D+01 -0.256861D+01 -0.117280D+02
               186           187           188           189           190 
      1   0.656121D+01 -0.238689D+00  0.615298D+01 -0.352451D+01  0.589220D+02
      2  -0.577681D+01 -0.132944D+01 -0.421799D+01  0.257387D+01 -0.231493D+02
      3  -0.784396D+00  0.156813D+01 -0.193500D+01  0.950636D+00 -0.357727D+02
      4   0.338517D+01  0.225850D+01  0.988553D+00 -0.305408D+01 -0.392340D+02
      5  -0.418111D+01  0.277689D+01 -0.330401D+01  0.405468D+01 -0.137789D+02
      6   0.833239D+01  0.964939D+00  0.763431D+01 -0.396715D+01  0.678550D+01
               191           192           193           194           195 
      1  -0.188093D+02 -0.139508D+02 -0.118133D+02  0.508963D+01  0.388246D+01
      2   0.349267D+01  0.448590D+01  0.566486D+00  0.477809D+01 -0.668116D-01
      3   0.153166D+02  0.946493D+01  0.112468D+02 -0.986773D+01 -0.381565D+01
      4   0.231234D+02  0.992163D+01  0.189533D+02 -0.160119D+02 -0.669123D+01
      5   0.546753D+01  0.149184D+02  0.456498D+01 -0.488612D+01 -0.243824D+01
      6  -0.375031D+01 -0.696941D+01 -0.360460D+01  0.196884D+01  0.316116D+01
               196           197           198           199           200 
      1  -0.265302D+02  0.847718D+01  0.118828D+02  0.762928D-01  0.145052D+01
      2   0.902783D+01  0.278081D+00 -0.721754D+01 -0.541768D+00  0.351232D-01
      3   0.175024D+02 -0.875526D+01 -0.466524D+01  0.465476D+00 -0.148564D+01
      4   0.212963D+02 -0.165046D+02 -0.927373D+01  0.332557D+01  0.506343D+01
      5   0.170957D+02 -0.617998D+01 -0.121315D+02 -0.101341D+01 -0.182454D+01
      6  -0.802046D+01  0.437385D+01  0.666505D+01 -0.228474D+01 -0.613794D+00
               201           202           203           204           205 
      1  -0.128726D+01  0.243369D+01 -0.129796D+02  0.608712D+01 -0.145117D+01
      2   0.502806D+00 -0.709788D+00  0.130980D+02 -0.245962D+01  0.293744D+01
      3   0.784456D+00 -0.172390D+01 -0.118363D+00 -0.362749D+01 -0.148628D+01
      4  -0.931334D+00  0.516501D+01  0.887089D+01 -0.298070D+01 -0.111169D+01
      5   0.119195D+01 -0.225884D+01 -0.376399D+01  0.246986D+01  0.190243D+01
      6   0.454191D+00 -0.544104D+00 -0.108196D+02  0.645811D+01  0.206753D+01
               206           207           208           209           210 
      1   0.472555D+01 -0.104405D+01 -0.958945D+00 -0.203407D+01  0.475175D+00
      2  -0.255961D+01  0.712560D+00  0.258869D+01  0.142096D+01 -0.175470D+00
      3  -0.216594D+01  0.331493D+00 -0.162974D+01  0.613111D+00 -0.299705D+00
      4  -0.140256D+01  0.367048D+00 -0.158069D+01  0.461616D+01 -0.108534D+01
      5   0.162302D+01 -0.263824D+00  0.940575D+00 -0.536890D+00  0.728233D+00
      6   0.454245D+01 -0.342336D+01 -0.890671D+00  0.108800D+01 -0.480785D-01
               211           212           213           214           215 
      1  -0.504667D+01 -0.202145D+02  0.309677D+01  0.240293D+01  0.446383D+01
      2   0.234283D+01  0.262553D+02 -0.300509D+01 -0.240714D+00 -0.491065D+01
      3   0.270384D+01 -0.604077D+01 -0.916831D-01 -0.216222D+01  0.446820D+00
      4   0.347837D+01 -0.195428D+02  0.299649D+01 -0.171005D+01  0.504463D+01
      5  -0.624305D+00  0.228784D+01 -0.260788D+01 -0.993823D+00 -0.204056D+01
      6   0.465926D+00 -0.184611D+01  0.481640D+01  0.164006D+01  0.348754D+01
               216           217           218           219           220 
      1  -0.384290D+01  0.457191D+01  0.608778D+01 -0.606661D+01  0.484375D+01
      2   0.319672D+01 -0.356343D+01 -0.474780D+01  0.198938D+01 -0.245979D+01
      3   0.646178D+00 -0.100848D+01 -0.133998D+01  0.407723D+01 -0.238396D+01
      4  -0.243875D+01  0.195968D+01 -0.329782D+01 -0.105266D+01  0.250154D+01
      5   0.154542D+01 -0.306900D+01  0.434950D+00 -0.655244D+00 -0.453360D+00
      6  -0.217996D+01 -0.230607D+01  0.108879D+01 -0.263626D+01 -0.106932D+01
               221           222           223           224           225 
      1  -0.771927D+01  0.461616D+01 -0.904715D+01  0.484659D+01 -0.166309D+02
      2   0.615754D+01 -0.359835D+01  0.459480D+01 -0.308043D+01 -0.362694D+01
      3   0.156174D+01 -0.101781D+01  0.445234D+01 -0.176615D+01  0.202579D+02
      4   0.807137D+01 -0.648230D+01 -0.976987D+01 -0.157018D+02  0.136566D+02
      5  -0.694840D+01  0.860056D+01  0.871844D+01  0.156898D+02 -0.423968D+02
      6  -0.560186D+01  0.940529D+01  0.303712D+01  0.132302D+02 -0.229736D+02
               226           227           228           229           230 
      1   0.848407D+02  0.199792D+02  0.611671D+01  0.872760D+01  0.831821D+01
      2  -0.384755D+02 -0.526705D+01 -0.269212D+01 -0.253199D+00 -0.851839D+00
      3  -0.463652D+02 -0.147122D+02 -0.342459D+01 -0.847440D+01 -0.746637D+01
      4   0.423595D+02  0.229116D+02  0.340099D+01  0.152799D+02  0.965466D+01
      5   0.336579D+01  0.116587D+01  0.125369D+02  0.726552D+00  0.191335D+01
      6   0.291294D+01  0.633167D+00  0.432147D+01  0.669810D-01  0.120342D+01
               231           232           233           234           235 
      1   0.264676D+00  0.123491D+02  0.254533D+01  0.735459D+01 -0.509739D+01
      2   0.101795D+01 -0.599302D+01  0.346378D+00 -0.441184D+01  0.515939D+01
      3  -0.128263D+01 -0.635612D+01 -0.289171D+01 -0.294274D+01 -0.619962D-01
      4   0.231484D+01  0.685578D+01  0.504425D+01  0.629404D+01 -0.447265D+00
      5   0.235854D+01  0.115951D+02  0.483832D+01  0.263669D+01  0.425359D+01
      6   0.216857D+01  0.382544D+01  0.303176D+01  0.788308D+00  0.358650D+01
               236           237           238           239           240 
      1   0.149490D+02  0.884976D+01  0.150676D+02 -0.210492D+02 -0.848523D+01
      2  -0.151800D+02 -0.615772D+01 -0.982662D+01  0.264490D+02  0.956052D+01
      3   0.230976D+00 -0.269204D+01 -0.524098D+01 -0.539978D+01 -0.107529D+01
      4  -0.968586D+01 -0.227589D+00  0.250164D+01  0.203207D+02  0.621566D+01
      5  -0.212948D+01 -0.535123D+01 -0.267221D+01  0.764372D+01  0.938807D+01
      6  -0.408106D+01 -0.533952D+01 -0.212885D+01  0.861508D+01  0.838052D+01
               241           242           243 
      1   0.106731D+02 -0.981373D+01 -0.127587D+02
      2  -0.544506D+01  0.122051D+02  0.805505D+01
      3  -0.522807D+01 -0.239139D+01  0.470369D+01
      4   0.360457D+01  0.122504D+02  0.822231D+01
      5  -0.943211D+00  0.102803D+02  0.712184D+01
      6  -0.204415D+01  0.107446D+02  0.781394D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127657D+03      0.189168D+02      0.210478D+02
   aniso      0.590483D+02      0.875005D+01      0.973575D+01
   xx         0.163996D+03      0.243018D+02      0.270394D+02
   yx        -0.641779D+01     -0.951018D+00     -0.105815D+01
   yy         0.118076D+03      0.174971D+02      0.194681D+02
   zx         0.687208D+01      0.101834D+01      0.113305D+01
   zy        -0.310226D+01     -0.459707D+00     -0.511493D+00
   zz         0.100898D+03      0.149516D+02      0.166358D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.127657D+03      0.189168D+02      0.210478D+02
   aniso      0.590483D+02      0.875005D+01      0.973575D+01
   xx         0.109835D+03      0.162759D+02      0.181094D+02
   yx        -0.116120D+02     -0.172072D+01     -0.191456D+01
   yy         0.115046D+03      0.170481D+02      0.189685D+02
   zx        -0.151735D+02     -0.224848D+01     -0.250177D+01
   zy         0.978640D+01      0.145020D+01      0.161356D+01
   zz         0.158089D+03      0.234264D+02      0.260654D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RwB97XD\Gen\C10H16O1\PIERPA\13-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.52911,0.
 73817,1.520718\C,-2.026745,0.339638,0.13597\C,-0.893023,-0.304125,-0.7
 56918\C,0.504969,0.154007,-0.577709\C,1.52099,-0.584013,-0.125283\C,2.
 904373,-0.104314,0.063302\O,3.757841,-0.865833,0.478807\C,-2.812629,1.
 468108,-0.506868\C,-2.698185,-1.062721,0.15134\C,-1.361985,-1.699049,-
 0.295661\C,3.243168,1.336395,-0.26131\H,-3.468386,-1.147602,-0.616388\
 H,-3.114217,-1.391151,1.103934\H,-1.177274,-0.145648,-1.802742\H,-0.78
 5318,-2.067458,0.551823\H,-1.402565,-2.481159,-1.051891\H,-0.900793,1.
 63041,1.475839\H,-0.942765,-0.055057,1.986408\H,-2.377267,0.95741,2.17
 3373\H,-3.180409,1.18134,-1.494152\H,-2.194867,2.362917,-0.622846\H,-3
 .675004,1.74083,0.107109\H,0.686365,1.19347,-0.838045\H,1.379098,-1.62
 5731,0.138442\H,3.041928,1.555618,-1.311973\H,4.296861,1.503639,-0.052
 94\H,2.640948,2.022263,0.338103\\Version=ES64L-G16RevA.03\State=1-A\HF
 =-466.111801\RMSD=5.547e-09\RMSF=3.694e-06\ZeroPoint=0.2369503\Thermal
 =0.2494279\Dipole=-1.3699827,0.7769748,-0.4372814\DipoleDeriv=0.029046
 3,0.0365507,-0.0437912,0.0327065,0.0375842,0.005836,-0.0650037,0.01294
 13,-0.0059051,0.2364012,-0.1062415,0.0624331,-0.2293069,0.162896,-0.07
 35965,-0.0749726,0.0039634,0.1107507,-0.2192299,0.0726745,0.0311032,0.
 1786672,0.0017064,0.0311314,0.0387329,-0.0298262,0.0714489,0.5968027,-
 0.0109801,0.0714216,-0.0664803,0.0411755,-0.0883819,0.2575529,-0.05134
 6,-0.1060192,-0.9319231,0.0007152,-0.0619421,-0.0821788,-0.0084355,-0.
 028862,-0.167291,-0.0407426,-0.1387788,1.7191065,-0.0822799,0.2568867,
 0.2195926,0.9397007,-0.2089491,0.2772839,-0.2375934,0.2737787,-1.16611
 78,0.2347598,-0.1827053,0.2706878,-0.741292,0.1613632,-0.2601226,0.167
 4294,-0.4240468,0.0376485,0.051784,-0.036195,0.044177,0.014976,0.02636
 79,0.0164906,0.0213013,0.0581764,0.0359554,0.0219176,-0.0539028,0.0337
 837,-0.0492212,-0.0456518,0.0255316,-0.0360991,0.1594105,-0.0410264,-0
 .0217284,0.030738,0.0120924,0.0738254,0.1115688,0.0232604,0.0702766,0.
 1247599,-0.0257856,-0.0835191,0.0102933,-0.1668689,-0.3354276,0.092235
 1,0.0201908,0.0962165,0.056567,-0.0912488,-0.0239864,-0.0677288,-0.006
 4984,0.0417271,-0.0085013,-0.1231845,-0.028613,-0.0575841,-0.0470767,-
 0.023385,0.0541052,-0.0368902,0.0110202,0.0316783,0.1316511,0.0730624,
 -0.1024597,-0.047051,-0.0022327,-0.0625105,-0.093283,0.0322765,0.03249
 54,-0.0467154,0.0353907,-0.1120914,-0.0070259,0.0603133,-0.0677822,0.0
 297215,0.0240147,0.0127219,-0.0690337,0.0495388,-0.0479674,0.032812,0.
 0038309,0.0024656,-0.0050696,-0.0966262,-0.0804994,0.017502,-0.1363219
 ,-0.0341252,0.0064164,-0.1125884,-0.0221958,-0.1181608,-0.0829023,-0.0
 191921,0.0086831,0.0220094,0.0257259,0.0129121,0.0631343,-0.0692968,0.
 0846057,-0.045678,0.0690973,-0.0595127,0.0376242,0.0174594,-0.0924449,
 0.0462116,0.1289571,0.0250511,0.0519844,-0.0378823,0.0873337,-0.052554
 9,-0.0253783,0.0329267,0.0053324,-0.0527138,-0.0265056,0.0225759,-0.07
 75448,-0.087491,-0.019524,-0.1231466,-0.0125506,-0.1230758,0.0184096,-
 0.0556505,-0.1066508,0.0269472,-0.0124818,0.023964,0.0570258,-0.103746
 2,0.0853311,0.0701211,0.0570469,0.0236967,-0.0024987,0.1097904,-0.0358
 879,-0.0109992,0.0357174,-0.0420732,0.0037426,-0.0583401,-0.0738318,0.
 0484657,-0.0254461,0.0329815,0.094238,0.0372985,-0.0440359,-0.0125431,
 -0.060058,-0.0447455,0.0362658,-0.0076913,0.0443598,0.1070178,0.058689
 9,-0.006524,-0.0568228,-0.0109043,0.0419912,-0.0011002,-0.0413904,0.03
 46696,-0.0679971,-0.0858751,-0.0584389,-0.0196803,-0.0076252,0.0586529
 ,0.0074103,-0.0378817,-0.0059962,0.0777776,-0.0006316,0.0585337,0.0691
 334,0.035688,0.0050071,-0.0209241,0.0642151,-0.0512236,0.0223624\Polar
 =156.9051449,-4.6289524,114.8484541,5.9625388,-2.8898229,97.1737064\Qu
 adrupole=-6.583534,3.220338,3.3631959,5.9358755,-2.4830243,0.2909844\P
 G=C01 [X(C10H16O1)]\NImag=0\\0.56059988,-0.01258455,0.56489182,-0.0268
 4512,-0.02958134,0.47728362,-0.08730293,-0.00827368,-0.03455032,0.4181
 4459,-0.00592126,-0.08541768,-0.02131840,-0.03381653,0.51274133,-0.031
 10400,-0.02495707,-0.16092067,0.04636612,0.00531685,0.47045077,0.00753
 050,-0.00128503,0.00019313,-0.08257524,0.01209486,0.00700619,0.4974900
 2,0.00516892,-0.00306883,-0.00827166,0.02987257,-0.05748261,-0.0162309
 3,0.06667257,0.41380895,0.02379545,-0.00752493,-0.02257338,0.01667601,
 -0.01218546,-0.08164760,0.04910632,-0.05881218,0.52488048,0.00147371,-
 0.00015359,-0.00020526,-0.02966769,0.00050825,0.00431384,-0.19380000,-
 0.04902435,-0.02416689,0.66505256,0.00085390,0.00166289,0.00017811,0.0
 1023917,0.00638776,0.01028423,-0.04232980,-0.11198644,-0.00517008,-0.0
 8397552,0.65060383,0.00182054,-0.00043121,-0.00048578,0.00912262,0.008
 37886,0.00600059,-0.01699363,-0.00417462,-0.07993264,0.13996986,-0.162
 82658,0.24493202,-0.00076881,-0.00039795,-0.00071064,0.00324416,-0.003
 95836,-0.00476768,-0.03623943,0.01966750,-0.01312166,-0.32743425,0.161
 51776,-0.10930147,0.65148864,-0.00034001,-0.00028542,0.00000767,-0.002
 83061,-0.00070823,-0.00129232,-0.00270892,0.01461019,-0.00045159,0.164
 67023,-0.24544170,0.09410425,-0.08416225,0.68474690,0.00044180,0.00011
 530,-0.00054815,0.00274881,-0.00243263,-0.00389903,-0.01297027,0.00475
 778,0.01043620,-0.11057326,0.09392884,-0.10583810,0.14894651,-0.182957
 50,0.20245254,0.00093125,0.00019508,0.00017890,-0.00239034,0.00275517,
 0.00215980,0.00806233,-0.00387204,-0.00348822,-0.03756374,0.01129081,-
 0.01202673,-0.15842117,-0.06700525,0.00104895,0.67977615,0.00043101,0.
 00029948,-0.00001704,-0.00095364,0.00067368,0.00059133,0.00191613,-0.0
 0393027,0.00579205,0.01951570,0.01337834,0.00025253,-0.06116976,-0.131
 74602,0.00036342,-0.14536390,0.64793445,0.00018384,-0.00025382,-0.0004
 2619,-0.00217421,-0.00093911,-0.00147862,-0.00226661,0.00593327,0.0141
 0380,-0.01470958,-0.00107741,-0.00392753,-0.00128405,-0.00138469,-0.07
 967289,0.14854484,-0.15397575,0.30148796,-0.00043321,-0.00001280,-0.00
 010701,0.00111593,-0.00148517,-0.00148515,-0.00340233,0.00388623,0.000
 29286,-0.00013362,-0.01113459,0.00267840,-0.07057835,0.03890273,-0.033
 19425,-0.38254056,0.25452844,-0.14594066,0.43978928,0.00004668,-0.0001
 5587,0.00006315,-0.00042251,0.00041193,0.00042909,0.00147710,-0.000295
 20,-0.00121769,-0.00572324,0.00413347,-0.00169092,0.02083206,0.0150919
 1,0.00732132,0.24438440,-0.33591057,0.13308099,-0.30025322,0.36405990,
 -0.00018581,0.00015245,0.00008558,0.00074426,-0.00003166,0.00007751,-0
 .00027126,-0.00048646,-0.00389911,0.00099795,-0.00299037,0.00429518,-0
 .02790424,0.01159268,0.01336142,-0.14296015,0.13531624,-0.13988475,0.1
 8241400,-0.16628847,0.11422734,-0.00819839,0.00952079,-0.01061866,-0.1
 1030765,0.04057753,-0.02444991,-0.01516988,0.01845756,-0.00820536,0.00
 069180,0.00215534,0.00052875,-0.00093223,-0.00055220,-0.00043551,0.000
 56510,0.00022638,-0.00033504,-0.00034088,0.00005204,0.00002030,0.53372
 462,-0.00257587,0.00636935,-0.00013753,0.04012558,-0.13704650,0.037985
 10,0.00685815,-0.00963612,-0.00042373,0.00013594,0.00080896,0.00035340
 ,-0.00030310,-0.00045094,-0.00000237,0.00022229,0.00023694,-0.00009298
 ,-0.00009063,-0.00006239,0.00003481,0.03793146,0.50688614,-0.02091833,
 0.02442063,-0.02082873,-0.02457182,0.03852550,-0.09772128,0.00955113,-
 0.01218409,0.00663563,-0.00079977,-0.00188095,-0.00123405,0.00114481,0
 .00051786,0.00061778,-0.00084809,-0.00025458,0.00028996,0.00052480,-0.
 00011368,0.00004810,-0.01578458,0.03409396,0.55561119,-0.01007999,-0.0
 1231150,-0.00160494,-0.07231627,-0.03511131,-0.00959115,-0.05625613,-0
 .01984363,0.02777367,-0.00122188,-0.00036333,0.00354986,-0.00068924,-0
 .00035586,-0.00020924,0.00066989,-0.00004654,-0.00030950,-0.00028575,0
 .00014571,0.00006162,0.01007326,0.01197511,-0.00111326,0.53644552,-0.0
 0914923,-0.01105178,-0.00524926,-0.04262584,-0.13015122,0.01177408,-0.
 02563540,-0.01355515,0.00897258,-0.00104761,-0.00183539,0.00134886,0.0
 0054923,-0.00009131,0.00021239,-0.00013726,0.00007003,0.00020415,0.000
 00854,-0.00000896,0.00001323,-0.00902270,-0.02244842,0.00224809,0.0537
 9449,0.36612028,-0.01845856,-0.02609049,0.00072969,-0.00930237,0.00667
 284,-0.07428458,0.04100986,0.01112892,-0.00628440,0.00140648,0.0009691
 7,-0.00330489,0.00010980,0.00060817,0.00042292,-0.00043377,-0.00036719
 ,0.00073257,0.00034404,-0.00009163,-0.00005106,0.00844604,0.01063786,-
 0.00180666,0.00970660,-0.05110445,0.60736354,-0.00053907,-0.00027775,0
 .00108940,-0.00725834,0.01607744,0.00659722,-0.06590503,-0.03587448,-0
 .00667798,-0.00517174,-0.02656656,0.00855219,0.00078526,-0.00020509,-0
 .00003386,0.00046424,-0.00040523,0.00042202,-0.00007585,0.00019405,-0.
 00004535,-0.00179125,0.00054901,0.00098064,-0.13990914,0.04556445,0.02
 032481,0.41218043,-0.00069807,-0.00078457,-0.00019929,0.02538541,-0.06
 752381,-0.00911109,-0.02873981,-0.14722392,0.02746322,-0.00586153,-0.0
 0515769,0.00128538,0.00226616,0.00093039,0.00011444,-0.00077090,-0.000
 13584,-0.00048758,0.00046676,-0.00022324,0.00024821,-0.00008332,-0.004
 29990,-0.00196260,0.03870732,-0.06487368,-0.01279196,-0.05751846,0.547
 37608,0.00061417,-0.00023473,0.00005655,0.01445154,-0.02035522,0.00409
 988,-0.00692477,0.03172314,-0.08432762,0.00474884,-0.00769789,0.000901
 49,0.00017374,-0.00103874,-0.00059004,0.00017404,0.00040787,0.00028549
 ,-0.00014127,0.00019116,-0.00020495,0.00074882,-0.00184676,-0.00186970
 ,0.01815986,-0.01876673,-0.08802445,0.08479300,0.05607202,0.56248132,-
 0.00004274,-0.00006947,0.00000569,-0.00003823,-0.00010673,-0.00018377,
 0.00020651,-0.00027083,0.00074982,-0.00146658,-0.00100974,0.00014354,-
 0.00245714,-0.02920255,0.00402522,-0.10337004,-0.04179196,0.00771591,0
 .01017410,0.03544634,-0.01336479,-0.00004166,-0.00000786,0.00008153,-0
 .00006322,-0.00003001,-0.00002130,-0.00024016,0.00011073,0.00012663,0.
 59010380,-0.00005658,0.00000105,0.00001279,0.00029862,-0.00020358,-0.0
 0013390,-0.00033938,0.00004159,-0.00048955,0.00029962,-0.00248247,0.00
 052579,-0.00906021,-0.00620431,0.00385416,-0.03765000,-0.15517251,0.01
 051230,0.01533926,-0.04296010,0.02251628,-0.00005941,-0.00005045,0.000
 06639,-0.00003992,0.00000188,0.00000476,-0.00001016,0.00010882,-0.0000
 5340,-0.02079095,0.45916241,0.00005222,0.00009995,0.00006688,0.0001950
 0,0.00025468,0.00028254,0.00059036,-0.00089640,-0.00192652,-0.00015656
 ,0.00015371,-0.00110166,-0.00149156,-0.00086098,0.01509616,0.00641370,
 0.00936154,-0.08723700,-0.00766915,0.02723079,0.01477010,0.00006973,0.
 00002730,-0.00007071,0.00005763,-0.00006739,-0.00015653,-0.00010869,0.
 00003356,-0.00001609,0.02208446,0.01290831,0.52352954,-0.00077460,-0.0
 0067599,0.00144052,-0.00612891,-0.00081021,-0.00654540,0.00020921,0.00
 057867,0.00004636,-0.00005681,-0.00018701,0.00056392,-0.00019420,0.000
 06580,-0.00004897,0.00033209,-0.00003777,0.00005845,-0.00015206,0.0000
 3343,-0.00001126,0.00093498,0.00114031,-0.00079300,-0.17489918,-0.0154
 8572,-0.12889011,-0.01742211,-0.00053820,-0.01817055,-0.00006014,-0.00
 003610,-0.00001345,0.18960285,-0.00330277,-0.00476968,0.00169709,-0.02
 039158,-0.00303776,-0.02306016,0.00022251,-0.00093931,0.00018999,0.000
 24368,0.00019416,0.00025831,0.00001438,-0.00015171,-0.00003123,0.00010
 852,0.00009670,-0.00008145,-0.00004347,0.00003069,0.00000725,0.0000568
 6,0.00220111,-0.00161320,-0.01550719,-0.04522148,-0.01155404,0.0138805
 5,0.00001822,0.01438197,0.00005275,-0.00001224,0.00000855,0.01534023,0
 .05027687,-0.00060184,-0.00115027,0.00073036,-0.00031195,-0.00027790,-
 0.00255160,-0.00005522,-0.00029273,-0.00044452,-0.00023558,-0.00004785
 ,-0.00001183,0.00015329,-0.00002505,0.00004857,0.00002558,0.00003645,-
 0.00007472,-0.00003677,-0.00000153,0.00000448,0.00038295,0.00121373,0.
 00075637,-0.12965577,-0.01217584,-0.18275213,0.00738795,0.00101494,0.0
 0735719,0.00000703,-0.00000746,0.00000520,0.14109519,0.01471104,0.1934
 5245,0.00129838,0.00003331,0.00065369,-0.00571482,-0.00257260,0.006669
 08,-0.00597269,-0.00116327,0.00077943,0.00036768,-0.00078622,0.0014450
 7,-0.00034909,-0.00010742,-0.00022354,0.00052696,0.00014737,-0.0000435
 3,-0.00031757,0.00008470,-0.00006984,-0.00057047,0.00018037,-0.0002238
 3,-0.08087682,-0.02713000,0.08355672,-0.00664403,-0.00811457,0.0194146
 4,-0.00004990,-0.00004240,0.00003138,0.00979371,0.00719263,-0.01999983
 ,0.08823659,0.00108692,0.00234082,0.00143608,-0.00613032,-0.00472031,0
 .02449827,-0.00185251,-0.00199493,-0.00016302,0.00019894,0.00140961,0.
 00085378,-0.00064927,-0.00014237,-0.00030841,0.00037056,0.00009538,-0.
 00020540,-0.00021416,0.00005985,-0.00000016,-0.00239700,-0.00143628,0.
 00022222,-0.02771497,-0.07335589,0.06887158,0.00160153,0.00520737,-0.0
 1548345,-0.00001125,-0.00001624,0.00004839,0.00121313,0.00113934,-0.00
 252832,0.03251169,0.07181651,-0.00084285,-0.00055958,0.00076606,-0.001
 08097,-0.00193239,0.00238093,0.00112121,0.00039332,0.00097672,-0.00038
 514,0.00015960,-0.00009266,0.00018579,0.00011400,-0.00002058,-0.000253
 84,-0.00008657,-0.00010553,0.00017293,-0.00003048,0.00007356,0.0002669
 7,0.00008478,-0.00022055,0.08437946,0.06894816,-0.25432309,-0.00071814
 ,0.00167613,-0.00380393,0.00003376,0.00003402,0.00000506,0.00834728,0.
 00684390,-0.01909031,-0.09229190,-0.07606175,0.27102557,-0.00324455,0.
 00049612,0.00171430,0.00294136,-0.00055671,0.02001087,-0.06025378,0.00
 469774,-0.06727652,-0.01466271,0.00509538,-0.03346478,-0.00330864,-0.0
 0313495,0.00158658,0.00035631,0.00217384,0.00279991,-0.00084832,-0.000
 29792,-0.00099032,0.00150619,0.00033195,0.00125776,0.00035178,0.000410
 52,-0.00060748,0.00169671,-0.00091690,0.00492319,0.00000653,-0.0002737
 0,-0.00037813,-0.00033323,-0.00024807,0.00010136,0.00005360,0.00017264
 ,-0.00034820,0.07437146,0.00314070,-0.00096860,-0.00174683,-0.00142376
 ,0.00047091,-0.01882350,0.00186525,-0.04790097,0.03635688,-0.00013499,
 0.00241297,-0.00900349,-0.00243712,-0.00020930,-0.00022665,0.00125668,
 0.00093468,0.00075874,-0.00068494,0.00006821,-0.00044939,-0.00090870,0
 .00074908,-0.00044568,0.00074289,-0.00047917,-0.00046078,0.00850527,-0
 .00807814,0.03071256,0.00004711,-0.00014889,-0.00004324,-0.00039773,0.
 00032185,0.00009837,-0.00005596,-0.00007917,-0.00014504,-0.00734011,0.
 05544242,0.00377065,-0.00011276,-0.00048987,-0.00255797,-0.00034510,-0
 .02080160,-0.06433664,0.03699447,-0.27119633,-0.00317374,0.00106642,-0
 .00365543,0.00014576,-0.00151792,0.00009829,0.00000614,0.00020765,-0.0
 0005570,-0.00013318,-0.00005356,0.00005680,-0.00258613,0.00103509,0.00
 123569,-0.00054238,-0.00052809,0.00060101,-0.00185136,0.00179417,-0.00
 545372,-0.00004738,-0.00005163,-0.00002969,0.00048953,0.00022682,0.000
 05916,0.00026065,-0.00008781,0.00010079,0.06929667,-0.03830975,0.29673
 555,-0.00005731,0.00022001,-0.00045395,-0.00103925,-0.00036292,0.00027
 734,0.00854403,-0.00364583,0.01241467,0.00014767,0.00099958,-0.0002680
 7,-0.00046086,-0.00040062,0.00054274,-0.00020679,0.00008155,-0.0001837
 4,0.00014656,-0.00008488,0.00007387,0.00027572,0.00025791,-0.00008040,
 -0.01755093,0.00863837,-0.02333122,-0.11665230,0.04631505,-0.11085843,
 0.00003699,0.00003765,0.00001282,-0.00372341,0.00373982,0.00197997,0.0
 0203547,-0.00145826,-0.00016781,-0.00078515,-0.00299366,0.00117587,0.1
 3025581,0.00051416,-0.00063026,0.00009534,-0.00049687,0.00024482,0.000
 15918,0.01399502,-0.00844684,0.02216801,0.00107383,0.00214576,0.000154
 12,-0.00039141,-0.00007378,-0.00024881,-0.00020110,0.00031136,-0.00020
 839,0.00001333,-0.00004514,0.00001811,0.00015762,-0.00012169,-0.000170
 01,0.00359971,-0.00248685,0.00537566,0.04600483,-0.07783260,0.06589635
 ,0.00012137,0.00003193,0.00004341,0.00019649,-0.00083940,-0.00026104,0
 .00003218,0.00119281,-0.00007976,-0.00040296,-0.00474022,0.00038853,-0
 .05082208,0.08198538,-0.00022834,-0.00038755,-0.00050327,0.00020013,0.
 00031729,-0.00060226,-0.00436342,0.00421169,-0.01073013,-0.00168983,-0
 .00086355,0.00069549,-0.00002700,0.00064623,0.00003343,0.00008060,-0.0
 0053617,0.00010467,0.00007645,-0.00005715,0.00006586,-0.00021327,0.000
 02521,0.00008765,0.00640680,-0.00416203,0.00973687,-0.11075469,0.06679
 744,-0.21086287,-0.00019572,-0.00001682,-0.00004225,0.00216770,-0.0014
 4852,0.00030638,-0.00051955,0.00070290,0.00131750,0.00070990,0.0025337
 1,0.00055948,0.11922216,-0.07388797,0.22664355,-0.00000732,0.00022452,
 -0.00026152,-0.00286461,0.00186322,0.00105391,-0.00186159,-0.00414924,
 -0.01131494,0.00019923,-0.00167456,0.00025087,0.00008817,-0.00010484,0
 .00024806,0.00006638,0.00005689,0.00004772,-0.00008663,0.00004138,-0.0
 0001318,0.00104984,0.00080424,-0.00006293,0.00518765,0.01716784,0.0192
 4790,-0.04983860,-0.01131809,-0.00854103,-0.00002160,-0.00001419,-0.00
 001390,0.00214513,-0.00141802,-0.00064938,-0.00170838,0.00167617,0.000
 92439,0.00079778,0.00110770,0.00002561,-0.00043208,-0.01255691,-0.0118
 4460,0.04751018,0.00022902,0.00015976,0.00045381,0.00186518,-0.0052035
 7,0.00116454,-0.00040304,-0.01370260,-0.01751908,0.00154985,-0.0017662
 1,0.00051250,-0.00042800,-0.00006151,-0.00021842,0.00037272,0.00011057
 ,-0.00000691,-0.00026282,0.00011085,-0.00005263,0.00014629,-0.00039961
 ,-0.00119091,-0.00020423,-0.00528587,-0.00291670,-0.01100925,-0.179677
 85,-0.13317032,-0.00002383,-0.00003201,-0.00001107,0.00027294,0.000867
 66,0.00007734,-0.00001995,-0.00049371,0.00012347,0.00000758,0.00166677
 ,0.00025896,0.00014737,0.00903524,0.00766279,0.00843535,0.19481623,-0.
 00023242,0.00031159,-0.00001047,0.00064526,0.00112273,0.00049376,0.001
 14882,0.00871752,0.00998302,-0.00062494,0.00099630,-0.00017811,-0.0000
 6990,-0.00030023,0.00031797,0.00013174,-0.00002796,-0.00001480,-0.0000
 6974,0.00005250,0.00000638,-0.00058516,0.00010963,0.00015352,-0.002748
 24,-0.00198206,-0.00512769,-0.00868443,-0.13410085,-0.18269794,-0.0000
 1032,-0.00000595,-0.00000693,-0.00020418,0.00038438,0.00137300,0.00080
 169,-0.00088955,-0.00021311,0.00003644,-0.00081000,0.00111142,-0.00112
 198,-0.01805604,-0.01734784,0.01088034,0.14461559,0.19207388,-0.131725
 85,-0.12063871,0.00824298,-0.00702899,-0.00853462,0.00097016,0.0004338
 8,0.00022641,-0.00019109,-0.00006786,-0.00020820,0.00016760,0.00022887
 ,0.00016662,-0.00002258,-0.00027453,-0.00005699,0.00005462,0.00014238,
 -0.00003254,0.00001907,0.00015170,-0.00051982,0.00071336,-0.00004917,0
 .00051103,-0.00207545,-0.00012982,0.00013719,-0.00020320,0.00002630,0.
 00005322,0.00000240,-0.00000632,-0.00062622,-0.00020370,0.00012726,0.0
 0042382,-0.00007440,-0.00001874,-0.00002933,-0.00007543,0.00016667,-0.
 00009958,0.00008601,0.00024567,-0.00007220,0.00002021,0.14114170,-0.12
 046619,-0.21923644,0.01187850,-0.00448797,-0.00869812,0.00006163,-0.00
 023999,0.00007373,0.00034972,-0.00048519,-0.00023095,-0.00015914,0.000
 27201,0.00002349,0.00047070,0.00023343,-0.00004927,0.00010260,-0.00011
 843,0.00009592,-0.00007500,0.00072158,0.00049035,0.00060098,-0.0008902
 3,0.00139542,-0.00202287,-0.00006161,-0.00000223,0.00037085,0.00005470
 ,-0.00004941,-0.00005165,-0.00005823,-0.00069967,-0.00037349,0.0002537
 7,0.00034298,-0.00000355,0.00009591,0.00008359,-0.00006438,-0.00011178
 ,0.00012233,-0.00008674,0.00000061,0.00005044,-0.00010755,0.13480183,0
 .23787161,0.00894610,0.01282692,-0.04815360,-0.01811668,-0.02628195,0.
 00142627,0.00009863,0.00043845,0.00192001,0.00038333,-0.00033432,-0.00
 034963,0.00009855,0.00012811,-0.00007922,0.00017524,0.00002566,0.00001
 456,-0.00009761,0.00002068,-0.00003101,0.00040503,-0.00100789,0.001474
 18,-0.00269449,-0.00005709,-0.00550051,-0.00015963,0.00036775,0.000277
 16,-0.00003982,-0.00002324,-0.00001610,-0.00044896,-0.00182003,-0.0001
 4712,-0.00012876,0.00008516,0.00013765,-0.00013535,0.00018997,0.000113
 95,0.00016561,-0.00010544,-0.00005720,0.00011013,0.00003471,0.00001299
 ,-0.00764711,-0.01187916,0.05197613,-0.12169779,0.10276962,-0.05889028
 ,-0.00677044,0.00710762,-0.00356954,0.00010296,-0.00007555,0.00034886,
 0.00010251,-0.00032967,0.00052008,0.00000559,0.00010355,-0.00004912,-0
 .00023220,-0.00007952,0.00003133,0.00012240,-0.00002265,0.00000617,-0.
 00015147,-0.00142812,-0.00208555,0.00025781,0.00082543,-0.00011089,0.0
 0011970,0.00020623,-0.00025487,0.00000558,0.00002659,-0.00000770,-0.00
 001679,-0.00001457,0.00033156,-0.00049013,-0.00026720,0.00016391,-0.00
 006717,-0.00004144,-0.00002613,0.00035674,-0.00011214,0.00019620,0.000
 05275,-0.00013241,0.00015381,0.01070407,-0.01382448,0.00841378,0.13015
 486,0.10290837,-0.18924877,0.08052608,-0.00581886,0.00686940,-0.003112
 49,0.00045062,0.00029143,0.00037760,0.00059198,-0.00049745,-0.00000910
 ,0.00000971,0.00026204,-0.00062466,-0.00020798,-0.00011571,0.00000005,
 0.00005290,0.00001369,-0.00000865,-0.00050428,0.00020694,-0.00127845,-
 0.00028893,0.00056074,0.00013245,-0.00005352,-0.00008471,-0.00041020,-
 0.00001440,0.00003854,-0.00000201,0.00012518,0.00012263,0.00008671,0.0
 0002248,0.00010372,0.00004197,-0.00014740,0.00005732,0.00013472,-0.000
 10061,-0.00045523,-0.00073593,-0.00002132,0.00007200,0.00006170,0.0145
 2244,-0.01909948,0.01028993,-0.11376539,0.20470837,-0.05773860,0.07831
 643,-0.09217859,-0.01588406,0.02359192,-0.01242826,0.00003347,0.000822
 27,0.00064768,0.00009550,0.00004617,-0.00038565,0.00012089,-0.00009739
 ,0.00025102,0.00044697,0.00010234,0.00014085,-0.00020924,0.00001497,-0
 .00007957,-0.00142658,-0.00328162,-0.00539400,0.00049946,0.00074032,0.
 00081507,-0.00036971,0.00003605,-0.00046898,-0.00005036,-0.00006048,-0
 .00000786,0.00006849,0.00017824,0.00022243,-0.00003716,-0.00038496,0.0
 0025220,-0.00005960,0.00016152,0.00029163,0.00022722,-0.00074613,0.000
 05810,0.00021839,-0.00013505,0.00025751,-0.00038543,0.00124680,-0.0013
 5537,0.06612345,-0.08648219,0.10133677,-0.20633158,0.04013666,0.119740
 62,0.00750016,-0.00204602,-0.00636883,0.00032457,-0.00124239,-0.002670
 29,-0.00049060,0.00028821,0.00007956,0.00008149,-0.00014866,0.00039866
 ,0.00043352,0.00008208,0.00010533,-0.00023141,0.00005059,-0.00008769,0
 .00064273,-0.00024760,-0.00022613,0.00102853,0.00065665,0.00018296,0.0
 0013237,0.00017972,-0.00026705,-0.00001541,-0.00006149,-0.00002454,0.0
 0012302,0.00022272,-0.00004475,0.00013875,0.00035773,0.00030210,0.0004
 0404,-0.00028023,-0.00025020,-0.00001658,-0.00014480,0.00006293,0.0000
 1920,0.00005412,0.00002048,-0.01424315,0.00406089,0.00984466,-0.013162
 40,0.00235529,0.00955186,0.22319045,0.03991419,-0.05722812,-0.02918415
 ,0.00674700,-0.00352864,-0.00575114,-0.00064899,0.00037092,-0.00176474
 ,-0.00056563,-0.00020469,-0.00007338,0.00013647,0.00009597,0.00013564,
 -0.00017260,-0.00010763,0.00000419,0.00008931,0.00001331,0.00000523,-0
 .00016517,0.00005776,0.00071407,0.00114784,0.00106217,-0.00008534,0.00
 044251,0.00004482,0.00014498,0.00003010,0.00000547,-0.00002593,-0.0000
 6123,0.00002471,0.00018575,-0.00026363,-0.00037794,0.00036381,0.000327
 22,-0.00027808,-0.00040393,-0.00013062,0.00010174,-0.00012738,-0.00008
 712,0.00010286,-0.00008577,-0.02093017,0.00617820,0.01625116,0.0183468
 3,-0.00454765,-0.01491128,-0.04414180,0.05778442,0.11879820,-0.0294845
 2,-0.13433717,0.02442154,-0.00740350,-0.02056642,-0.00274392,0.0003634
 6,-0.00476150,-0.00162479,-0.00003697,-0.00010778,0.00041331,0.0000944
 0,0.00042148,-0.00033396,-0.00013816,-0.00000292,0.00021912,-0.0000406
 6,0.00005662,0.00137680,-0.00038716,0.00109905,0.00050708,0.00110764,0
 .00117101,0.00003979,0.00062350,0.00028250,0.00003273,0.00004256,-0.00
 001751,-0.00006260,0.00006063,0.00013210,-0.00044824,-0.00059904,0.000
 51080,0.00107534,-0.00103476,-0.00105499,-0.00002310,-0.00015495,0.000
 08406,-0.00015490,-0.00009665,0.00015889,0.00096904,0.00033757,-0.0013
 5597,-0.01095540,0.00170268,0.00862147,-0.13028548,0.03453646,0.149308
 96,-0.00161746,0.00326434,-0.00079373,-0.00750606,-0.00484850,-0.01557
 531,0.00047396,-0.00080991,-0.00138252,-0.00010547,-0.00016027,0.00026
 526,0.00015406,0.00008093,0.00002467,-0.00005475,-0.00006392,-0.000073
 36,0.00004928,-0.00000248,0.00004108,-0.07502509,-0.02354681,-0.076183
 30,0.00033111,-0.00066110,0.00072859,0.00013795,-0.00019498,0.00010156
 ,0.00000984,0.00000301,-0.00000881,0.00032071,0.00017925,0.00027688,0.
 00012048,-0.00007406,0.00005598,-0.00028575,0.00031836,0.00083805,-0.0
 0001354,-0.00015310,0.00008580,0.00001161,0.00001887,0.00001704,0.0002
 3009,0.00017735,0.00038797,0.00007866,-0.00007709,-0.00127470,0.000232
 75,-0.00003723,-0.00026215,0.07930408,0.00242951,-0.00353678,0.0016749
 1,0.00837962,0.00514542,0.02266861,-0.00058809,0.00094176,0.00072442,-
 0.00009155,-0.00000151,-0.00008863,-0.00007580,-0.00001228,-0.00000472
 ,0.00005829,0.00001486,0.00004385,-0.00004859,0.00001637,-0.00002539,-
 0.02459552,-0.06703514,-0.06631395,0.00056872,0.00155568,0.00078491,0.
 00000119,0.00032730,0.00030684,-0.00000364,-0.00000819,-0.00001452,-0.
 00039135,-0.00017115,-0.00027528,-0.00010103,0.00004041,-0.00017626,-0
 .00003125,0.00011266,-0.00039119,-0.00006382,-0.00001211,-0.00001086,-
 0.00004798,0.00008627,-0.00002458,0.00028903,0.00013060,0.00000507,0.0
 0067840,0.00050756,0.00132514,-0.00011553,-0.00013820,-0.00006766,0.02
 387985,0.07200420,-0.00178994,0.00370401,-0.00008429,-0.00415125,-0.00
 423789,-0.01434347,0.00059985,-0.00045392,0.00042377,0.00008494,-0.000
 11959,0.00028863,0.00001116,-0.00000313,0.00002783,0.00013095,-0.00000
 469,-0.00004236,-0.00005432,0.00002472,0.00001307,-0.07714884,-0.06403
 009,-0.25741750,-0.00027297,-0.00095823,0.00001464,0.00031430,-0.00010
 972,0.00047863,0.00000578,-0.00001735,-0.00000544,0.00063216,0.0008139
 4,0.00050635,0.00021911,-0.00013556,0.00022150,-0.00020696,0.00024970,
 0.00090451,0.00017563,-0.00021733,0.00002906,-0.00004833,0.00009719,0.
 00001825,0.00007053,-0.00015405,0.00020191,-0.00052675,-0.00034518,-0.
 00091187,0.00010752,-0.00001827,0.00052557,0.08659174,0.06995862,0.280
 96436,0.00074728,0.00021777,0.00062658,0.01073445,0.01489794,-0.002243
 31,0.00083141,-0.00087740,0.00049284,-0.00010143,-0.00025302,-0.000168
 78,0.00016103,0.00008309,0.00003956,-0.00021262,-0.00008967,0.00000371
 ,0.00012278,-0.00001025,0.00002001,-0.13188083,-0.11960512,0.01469460,
 -0.00089771,0.00245734,-0.00230445,0.00044185,0.00005989,0.00019814,0.
 00002441,0.00003056,-0.00000483,0.00004232,0.00008667,0.00013492,0.000
 08589,0.00063682,0.00008796,-0.00003076,-0.00013688,0.00018874,0.00009
 974,-0.00009455,-0.00004624,-0.00017785,-0.00001160,0.00009229,0.00006
 711,-0.00011241,0.00004450,0.00010012,0.00002850,0.00025008,-0.0000834
 4,-0.00010351,-0.00007987,-0.00650558,-0.00733511,0.00129454,0.1413036
 1,-0.00084108,0.00067452,-0.00116394,-0.01580533,-0.02232242,0.0026493
 6,-0.00000508,0.00062965,-0.00037990,-0.00006617,-0.00051048,-0.000121
 28,0.00025897,0.00023743,0.00003992,-0.00006050,-0.00010323,0.00005185
 ,0.00000624,0.00006210,-0.00002768,-0.11934938,-0.21405975,0.02087690,
 0.00328092,-0.00083621,0.00264835,-0.00045587,-0.00054451,-0.00008512,
 0.00002023,0.00001976,-0.00001677,0.00020511,0.00059147,0.00010916,0.0
 0004520,-0.00102835,0.00010720,0.00017634,-0.00009532,-0.00036849,0.00
 022548,0.00000422,-0.00005715,0.00035035,-0.00010741,-0.00013039,0.000
 53131,0.00067042,0.00064128,0.00028738,0.00029179,-0.00023043,0.000085
 33,0.00003169,0.00000815,-0.00456855,-0.00701666,0.00075841,0.13087636
 ,0.23598077,0.00105946,0.00049415,0.00062638,0.00940693,0.01124958,-0.
 00287883,-0.00032765,-0.00007630,0.00045013,0.00003725,0.00003425,0.00
 015980,-0.00010370,-0.00001728,-0.00006421,0.00008779,0.00002806,-0.00
 001463,-0.00004868,0.00000454,-0.00000982,0.01409261,0.02060236,-0.050
 14836,-0.00233907,0.00055293,-0.00058300,0.00013041,0.00040990,0.00017
 391,-0.00001820,-0.00000059,0.00002440,0.00022939,0.00005520,0.0001755
 7,0.00024234,0.00010687,0.00012231,-0.00015728,-0.00008711,0.00000532,
 0.00000921,0.00004482,-0.00003811,-0.00023469,0.00007174,0.00007858,-0
 .00051968,-0.00014559,-0.00021114,-0.00007008,-0.00030963,0.00016879,-
 0.00000014,0.00007915,-0.00005563,-0.01692307,-0.02397003,0.00421054,-
 0.01495524,-0.02488865,0.04990307,0.00034151,-0.00047888,0.00112375,-0
 .01547627,0.00396462,0.01030881,0.00016342,0.00120336,-0.00276905,0.00
 054437,0.00038828,0.00040459,-0.00047354,-0.00013091,-0.00019909,0.000
 48747,0.00014311,-0.00003863,-0.00028878,0.00005742,-0.00006165,-0.204
 96966,0.04798802,0.11464500,0.00057474,0.00024678,-0.00017003,-0.00023
 869,0.00038514,0.00026656,-0.00004332,-0.00004853,0.00002406,0.0001588
 6,0.00023466,-0.00003081,0.00017636,0.00036820,-0.00004689,0.00021319,
 -0.00031919,-0.00011631,0.00002420,0.00014081,-0.00006610,0.00010867,0
 .00029479,-0.00009829,-0.00010833,0.00004222,-0.00001534,0.00043907,-0
 .00010792,-0.00017190,0.00021951,0.00000580,-0.00094113,0.00964176,-0.
 00280637,-0.00603309,-0.01469163,0.00446108,0.01040124,0.22315842,-0.0
 0056169,0.00058164,-0.00108614,0.02098837,-0.00659738,-0.01527345,0.00
 262975,-0.00224366,0.00257908,-0.00021532,-0.00121632,-0.00036406,0.00
 062581,0.00036739,0.00020006,-0.00040982,-0.00017369,0.00012363,0.0002
 4865,-0.00003347,0.00002161,0.04783695,-0.06078773,-0.03506536,-0.0008
 4595,0.00109216,-0.00031776,0.00055523,0.00007213,-0.00060731,0.000033
 25,0.00004118,-0.00002846,-0.00029734,-0.00021796,-0.00019407,0.000013
 04,-0.00011650,0.00015289,-0.00022745,0.00029394,0.00048077,-0.0001148
 5,-0.00003137,0.00009308,-0.00022170,-0.00024823,0.00010871,-0.0000957
 4,0.00000915,0.00016201,-0.00031926,-0.00008136,-0.00006170,-0.0001682
 2,0.00033154,0.00055948,0.00724713,-0.00295447,-0.00481260,-0.02086942
 ,0.00718002,0.01579910,-0.05600295,0.06463716,-0.00050411,0.00011243,0
 .00104558,-0.01184608,0.00225501,0.00739886,-0.00176589,0.00202536,-0.
 00083177,0.00020310,0.00016392,0.00035324,-0.00013030,-0.00001936,-0.0
 0009133,0.00008428,-0.00000401,-0.00012260,-0.00001624,0.00000741,0.00
 003142,0.11510036,-0.03501877,-0.13095943,0.00051747,-0.00050098,0.000
 49197,-0.00020776,-0.00009317,0.00041481,-0.00000187,-0.00000142,0.000
 01598,0.00013165,-0.00013215,-0.00008812,0.00003537,-0.00011508,-0.000
 02103,-0.00003280,0.00012415,0.00041584,-0.00007187,-0.00012881,0.0000
 5058,0.00015279,0.00012479,-0.00005999,-0.00002539,-0.00002956,-0.0000
 6510,0.00015077,-0.00009685,0.00021756,0.00003249,0.00017815,-0.000042
 35,0.02312716,-0.00609581,-0.01597776,0.00163383,-0.00035493,-0.002174
 60,-0.12648552,0.03765291,0.13993316,-0.00006171,0.00013482,0.00015557
 ,0.00060032,0.00043549,0.00045460,-0.00294097,-0.03072733,0.00729920,-
 0.06426782,-0.04611563,0.00816554,0.00786585,0.02543292,-0.00704348,0.
 00071191,0.00170998,0.00168027,0.00014588,-0.00084608,-0.00006300,-0.0
 0016265,-0.00016459,0.00003195,0.00011350,-0.00024812,0.00029338,-0.00
 344456,0.00059328,-0.00284112,-0.00104203,-0.00064294,-0.00056598,-0.0
 0003537,0.00008971,-0.00002766,-0.00027772,0.00024538,0.00020566,0.000
 88826,0.00047394,-0.00063168,0.00032567,0.00020049,0.00008261,-0.00056
 884,-0.00069202,0.00035928,-0.00003839,0.00018636,0.00043836,-0.000047
 22,0.00001492,-0.00008500,0.00008916,0.00012146,0.00002683,0.00002114,
 0.00000490,0.00000896,-0.00017362,0.00039794,-0.00000198,0.00007000,0.
 00015315,-0.00004966,0.06683542,-0.00016754,-0.00034109,-0.00018154,-0
 .00060236,-0.00022342,-0.00001523,-0.00140401,-0.00823407,0.00298040,-
 0.04063939,-0.29695304,0.06499923,-0.00364478,-0.01771184,0.00627573,-
 0.00121661,-0.00133642,-0.00237511,0.00033100,0.00064951,0.00029781,-0
 .00021800,-0.00013769,0.00021852,-0.00034981,-0.00034951,0.00047584,-0
 .00058669,0.00206734,-0.00083941,-0.00104359,0.00019753,0.00032225,-0.
 00006589,0.00005156,0.00001005,-0.00023117,0.00003411,0.00002619,-0.00
 014544,0.00040973,-0.00031094,0.00019318,0.00006638,-0.00003417,-0.000
 13679,-0.00012420,0.00007159,0.00023335,0.00036543,0.00000492,0.000027
 34,0.00002940,-0.00006535,0.00006231,0.00011351,0.00004766,0.00002908,
 0.00000157,0.00001199,0.00013184,0.00017884,-0.00002713,-0.00005129,0.
 00008632,-0.00004484,0.04858854,0.32002597,0.00005350,0.00022990,-0.00
 007875,-0.00123184,-0.00030600,0.00083197,-0.00006145,-0.00405175,0.00
 363510,0.00638318,0.06352356,-0.06013514,0.00137900,0.01280031,0.00321
 947,0.00262097,-0.00151412,-0.00716893,-0.00041775,-0.00001065,0.00123
 775,0.00020529,0.00007767,-0.00018251,-0.00061211,-0.00028189,0.000492
 50,-0.00094429,0.00129523,0.00175845,-0.00044465,0.00037756,0.00186911
 ,-0.00005775,-0.00005028,0.00000158,-0.00020604,0.00005417,-0.00000563
 ,0.00111491,0.00027475,0.00061300,-0.00017960,-0.00017200,0.00013570,0
 .00030213,0.00025824,-0.00032222,0.00017811,-0.00020518,-0.00026345,0.
 00005412,-0.00000077,0.00001495,-0.00014706,-0.00018681,-0.00001739,-0
 .00007508,-0.00003071,-0.00003160,-0.00001668,-0.00002944,0.00007255,0
 .00001512,-0.00006657,0.00000621,-0.00442924,-0.07452094,0.04653571,-0
 .00001311,0.00002435,-0.00009881,0.00000292,-0.00002898,-0.00020159,0.
 00027509,0.00093085,0.00160029,0.00740083,0.02447545,-0.00650697,-0.05
 953980,-0.03719931,0.00561952,-0.00313116,-0.03162795,0.00747123,0.003
 11907,0.00285849,0.00041212,-0.00003732,0.00003834,0.00002788,0.000094
 18,0.00032541,0.00033776,-0.00072189,-0.00013298,-0.00066250,-0.004842
 33,0.00017252,-0.00165304,0.00015259,-0.00010757,-0.00002766,0.0000247
 1,-0.00008336,-0.00004351,0.00037653,-0.00018663,0.00015964,-0.0015016
 6,-0.00059689,0.00058122,0.00008354,-0.00013199,0.00014487,0.00001184,
 -0.00007474,-0.00004529,0.00002111,-0.00000062,0.00008126,0.00000744,-
 0.00002842,0.00002066,-0.00000641,0.00000434,-0.00001112,-0.00001326,-
 0.00009102,0.00000431,-0.00002228,-0.00001138,-0.00001807,-0.00287121,
 0.00178711,-0.00362014,0.06127675,0.00000241,-0.00011316,0.00013377,0.
 00014574,0.00003477,0.00030809,-0.00140588,-0.00074399,-0.00176770,-0.
 00151690,-0.01424855,0.00533310,-0.03845140,-0.30800899,0.06769261,0.0
 0105055,-0.01174870,0.00444094,0.00090510,0.00297909,-0.00127078,0.000
 03185,-0.00003575,-0.00007497,-0.00007777,0.00015609,-0.00049952,-0.00
 044597,0.00026428,0.00027534,-0.00173489,0.00099438,-0.00008678,-0.000
 11779,0.00010029,0.00004764,0.00007747,0.00000561,0.00000977,-0.000184
 33,0.00000784,-0.00005819,-0.00058426,0.00046193,-0.00051649,0.0000014
 2,0.00000732,-0.00003523,-0.00001105,0.00003154,0.00003388,0.00005108,
 0.00003726,-0.00012649,-0.00004426,0.00004794,-0.00004559,-0.00001134,
 0.00000290,-0.00001444,-0.00000320,0.00005185,0.00000374,0.00002886,-0
 .00000520,0.00000352,0.00136650,0.00051591,0.00324672,0.04094216,0.329
 66886,-0.00003520,0.00006081,0.00024999,0.00085706,0.00041080,0.000685
 78,0.00253123,-0.00160715,-0.00601108,0.00005993,0.01164150,0.00228878
 ,0.00667874,0.06768829,-0.05691739,-0.00193430,-0.00300922,0.00367656,
 0.00101771,-0.00086387,-0.00168793,0.00015964,-0.00002741,-0.00015936,
 0.00010050,-0.00026853,-0.00039312,-0.00003743,-0.00039006,-0.00024886
 ,-0.00109584,0.00032352,0.00167562,-0.00001851,-0.00003108,0.00002354,
 0.00009841,0.00008761,0.00000379,-0.00105151,0.00008419,-0.00015989,0.
 00046138,0.00009101,0.00027609,-0.00030672,-0.00014258,-0.00005689,-0.
 00006087,-0.00008658,-0.00000845,0.00004730,0.00003806,-0.00007898,-0.
 00006782,-0.00000450,-0.00005023,0.00000024,-0.00001191,-0.00001871,0.
 00001809,-0.00005007,0.00002072,0.00005531,-0.00006084,0.00005667,-0.0
 0353729,0.00344057,0.00879322,-0.00383261,-0.07724448,0.04776219,0.000
 00235,-0.00001750,-0.00001728,-0.00002674,-0.00009433,-0.00002113,-0.0
 0022886,0.00036064,0.00017739,-0.00000767,-0.00123558,0.00052306,-0.00
 122852,-0.00018217,-0.00137918,0.00062343,0.00312126,0.00795726,0.0008
 8700,-0.00013805,-0.00023558,-0.00001505,-0.00003392,0.00000014,-0.000
 03570,0.00002216,0.00001031,0.00005698,0.00002104,0.00003478,-0.054472
 44,0.00572829,-0.04731161,-0.00000040,-0.00000902,0.00000390,0.0000016
 3,-0.00000817,-0.00000830,-0.00001383,-0.00002955,-0.00000707,0.000000
 34,0.00000231,-0.00000054,0.00001210,0.00001811,-0.00000517,0.00000907
 ,0.00000066,0.00001453,0.00000494,0.00001252,-0.00000551,0.00000286,0.
 00000149,-0.00000371,-0.00000445,0.00000318,-0.00000165,-0.00000089,0.
 00002427,0.00000484,0.00000702,0.00001065,-0.00001047,-0.00101387,-0.0
 0024846,-0.00001193,0.00007890,0.00002611,-0.00015111,0.05510394,-0.00
 000004,-0.00001356,-0.00001229,-0.00002047,-0.00005366,-0.00007238,-0.
 00025874,0.00013948,0.00031385,-0.00037378,0.00022727,-0.00008117,-0.0
 0009540,-0.00036258,-0.00270490,0.00902461,-0.00132582,0.03243108,-0.0
 0020177,-0.00738127,-0.00240402,-0.00000293,0.00001356,0.00001660,-0.0
 0000844,0.00001279,0.00003296,0.00002806,0.00000667,0.00001226,0.00626
 632,-0.05299569,0.05415777,0.00000307,-0.00000033,-0.00000023,-0.00000
 526,-0.00001343,-0.00000332,0.00004243,0.00000277,0.00001374,0.0000054
 8,-0.00001400,0.00000667,0.00000331,-0.00000845,0.00000335,-0.00000358
 ,0.00001554,-0.00001307,-0.00000052,-0.00001234,0.00000637,0.00000569,
 0.00000101,0.00000170,-0.00000208,-0.00000091,-0.00000004,-0.00000012,
 -0.00000602,-0.00000368,-0.00000619,0.00000131,-0.00000447,-0.00035540
 ,-0.00005562,-0.00011744,0.00024402,-0.00010644,-0.00027741,-0.0094964
 3,0.05692898,-0.00001180,-0.00000688,0.00001191,-0.00000973,0.00000442
 ,-0.00003591,0.00019464,-0.00035897,0.00031745,-0.00066808,0.00039253,
 0.00019190,-0.00031400,0.00041362,0.00040955,-0.00253942,0.00041424,-0
 .00553111,0.00129487,0.00123885,0.00026593,0.00001006,0.00002514,0.000
 01313,-0.00000299,-0.00002661,0.00002764,-0.00009398,0.00002042,-0.000
 04034,-0.04702598,0.05027603,-0.28832781,-0.00000427,0.00000760,0.0000
 0170,-0.00002165,-0.00000113,0.00001062,0.00004623,0.00004344,-0.00000
 106,0.00000892,-0.00000090,0.00000402,-0.00002304,-0.00001902,0.000003
 16,-0.00001112,0.00001993,-0.00002009,-0.00000679,-0.00001828,-0.00000
 537,-0.00000253,0.00000630,0.00000833,0.00000583,-0.00000273,0.0000053
 0,0.00000264,-0.00001519,-0.00000830,-0.00001335,-0.00000371,0.0000060
 3,0.00025393,-0.00066327,-0.00014264,0.00010693,0.00003642,0.00004518,
 0.05269546,-0.05562365,0.31418480,-0.00000773,0.00003175,0.00001025,0.
 00004164,-0.00003381,-0.00004472,0.00004906,-0.00009062,0.00005640,0.0
 0042706,0.00012061,0.00004907,0.00066223,-0.00125130,0.00017491,-0.010
 11192,-0.00061520,-0.00198398,0.00292164,0.00220903,0.00033368,-0.0000
 0856,0.00000675,0.00002221,-0.00000946,-0.00000973,0.00000151,-0.00005
 172,0.00005013,-0.00001512,-0.30578958,-0.04086616,-0.05113213,-0.0000
 1577,0.00000375,-0.00000429,-0.00001904,-0.00000316,0.00001415,-0.0000
 3083,-0.00000631,-0.00001087,0.00001572,0.00001986,-0.00001823,-0.0000
 1157,-0.00001899,-0.00000257,0.00001614,-0.00002545,-0.00001764,0.0000
 0705,0.00000202,-0.00001774,-0.00002787,-0.00000390,0.00001179,0.00000
 065,-0.00000495,-0.00000464,0.00001046,-0.00000701,-0.00000102,-0.0000
 1896,0.00000849,0.00000374,0.00012641,-0.00013983,0.00017903,-0.000309
 94,-0.00016112,-0.00010988,-0.00279689,-0.00030266,-0.00042377,0.32914
 582,-0.00002499,-0.00005207,-0.00000183,-0.00000224,-0.00005337,-0.000
 03784,-0.00012357,0.00032464,-0.00005425,0.00110069,-0.00074834,0.0005
 0210,0.00032676,-0.00561940,0.00203589,-0.03576888,-0.00699515,-0.0070
 1808,0.00217042,0.00440521,-0.00098456,-0.00001718,-0.00001620,0.00001
 721,-0.00002120,0.00000443,-0.00003210,0.00001293,0.00002378,0.0000872
 2,-0.03588937,-0.05154135,-0.00762812,-0.00001797,0.00001359,0.0000073
 2,-0.00000266,-0.00000671,0.00000308,-0.00005566,-0.00002006,-0.000012
 88,0.00000614,0.00003773,-0.00006459,0.00000867,0.00001259,-0.00000953
 ,-0.00000592,0.00002420,0.00001155,0.00000301,0.00000490,-0.00001428,0
 .00000446,0.00001735,0.00000155,0.00000351,0.00000150,0.00000195,0.,0.
 00001688,-0.00000437,-0.00000365,0.00001183,-0.00000438,0.00012233,0.0
 0052085,-0.00025039,-0.00153760,-0.00044031,-0.00012960,0.00648463,0.0
 0012629,0.00026827,0.04387158,0.05640382,-0.00001619,-0.00003071,-0.00
 000235,0.00000974,-0.00001053,-0.00001129,0.00005057,-0.00008764,0.000
 11362,-0.00021741,0.00027609,-0.00001406,-0.00025891,0.00168401,0.0008
 1725,0.00794298,0.00157725,0.00034823,0.00034883,-0.00102650,-0.000663
 84,0.00000027,0.00000207,0.00000160,-0.00000505,-0.00001716,0.00000998
 ,-0.00002849,0.00000733,-0.00001565,-0.05253623,-0.00884346,-0.0577207
 2,-0.00000221,0.00000296,0.00000205,-0.00000764,-0.00000106,0.00000304
 ,0.00002427,0.00001979,0.00000236,0.00000268,-0.00000459,0.00000718,-0
 .00001206,-0.00000527,0.00000020,-0.00001168,0.00001880,0.00000671,-0.
 00000151,0.00000192,-0.00000022,0.00000815,0.00001067,0.00000249,0.000
 00459,0.00000174,0.00000208,-0.00000004,-0.00000206,-0.00000599,-0.000
 00260,-0.00000126,0.00000383,0.00010382,-0.00031729,-0.00033362,0.0002
 8569,0.00018854,0.00035389,-0.03006037,-0.00511825,-0.00420658,0.05629
 626,0.00771896,0.05749274,-0.00002071,-0.00009173,-0.00001785,0.000087
 24,0.00000593,-0.00003644,-0.00009103,-0.00005617,-0.00034506,-0.00018
 751,-0.00109480,-0.00006994,-0.00169009,0.00051705,0.00053636,0.004502
 81,-0.00183167,-0.00773356,0.00097906,-0.00007958,0.00111998,-0.000012
 91,-0.00002200,0.00001517,0.00001264,0.00000449,-0.00000111,0.00001882
 ,0.00000375,-0.00004957,-0.12653754,0.08800275,0.08100632,0.00000384,-
 0.00000021,0.00000462,0.00000320,0.00000014,0.00000040,-0.00008028,-0.
 00005137,-0.00001085,0.00000850,0.00000042,0.00000902,0.00000117,-0.00
 000188,0.00000504,-0.00001162,0.00005537,0.00002026,-0.00000031,0.0000
 1140,-0.00000147,0.00003190,0.00002981,0.00000701,0.00000643,0.0000035
 4,0.00000268,-0.00000284,0.00001748,-0.00000529,0.00000288,0.00001063,
 -0.00000696,-0.00084752,-0.00049210,-0.00002972,0.00008487,0.00012090,
 0.00015355,0.00305476,-0.00448918,-0.00344701,-0.01421406,0.01935577,0
 .01808253,0.13489830,-0.00003592,-0.00007864,-0.00000607,0.00005528,-0
 .00000770,-0.00001886,-0.00021372,0.00015256,-0.00034386,-0.00001395,-
 0.00008378,0.00016138,-0.00125201,0.00091597,0.00224208,0.02151373,-0.
 01530565,-0.01958097,-0.00239830,-0.00512579,0.00487133,0.00000353,0.0
 0000438,0.00000951,0.00001807,-0.00000076,-0.00000862,0.00005361,-0.00
 000448,0.00000672,0.08981817,-0.14876710,-0.09491689,0.00000415,0.0000
 0983,0.00001255,0.00000193,-0.00000670,-0.00000362,-0.00006482,-0.0000
 3681,0.00001526,0.00000660,-0.00001214,-0.00000396,0.00000910,0.000012
 66,0.00001009,-0.00003158,0.00009061,0.00000499,-0.00002014,-0.0000350
 3,0.00000880,0.00003858,0.00002557,0.00000220,0.00000974,-0.00000165,0
 .00001155,-0.00000452,0.00000893,-0.00000603,0.00000272,0.00000157,-0.
 00000306,-0.00047999,0.00015293,-0.00034317,0.00003640,0.00008325,0.00
 033893,-0.00434414,0.00487447,0.00357314,-0.00278378,0.00354335,0.0039
 5568,-0.09992874,0.15959017,-0.00002282,-0.00003869,-0.00003135,-0.000
 05578,-0.00004275,0.00004255,-0.00015468,0.00047514,0.00004299,0.00054
 661,-0.00076881,0.00064781,-0.00007625,-0.00043342,-0.00031095,-0.0054
 3497,0.00545883,0.00457562,0.00023701,0.00180664,-0.00216508,-0.000024
 60,-0.00005181,-0.00001103,-0.00001886,0.00002392,-0.00001730,0.000084
 06,-0.00001336,0.00005774,0.08002415,-0.09174925,-0.12065777,0.0000005
 9,-0.00000573,0.00000185,0.00001395,-0.00000233,-0.00001169,0.00001122
 ,-0.00002156,-0.00000650,-0.00000992,0.00000762,-0.00001172,0.00001897
 ,0.00002895,-0.00000655,0.00001307,-0.00001359,0.00005241,0.00001326,0
 .00004052,-0.00000131,0.00000520,0.00000704,-0.00001348,-0.00000042,0.
 00001010,-0.00000302,-0.00000360,0.00003091,0.00000055,0.00001534,0.00
 000997,-0.00000767,-0.00028388,0.00021247,-0.00053540,-0.00013208,-0.0
 0001340,-0.00012114,0.01780896,-0.02056002,-0.01718744,-0.00336641,0.0
 0559172,0.00380707,-0.08920810,0.10001090,0.13187078\\0.00000507,0.000
 00279,0.00000190,-0.00000048,-0.00000827,0.00001223,-0.00000236,0.0000
 0169,-0.00000776,0.00000094,-0.00000265,-0.00000285,-0.00000105,0.0000
 0495,0.00000463,0.00000155,-0.00000304,-0.00000124,0.00000131,0.000000
 36,-0.00000521,-0.00000103,0.00000164,-0.00000479,0.00000877,0.0000004
 7,-0.00000528,-0.00000564,0.00000458,0.00000233,-0.00000487,0.00000637
 ,0.00001646,0.00000147,-0.00000283,-0.00000284,-0.00000179,-0.00000195
 ,-0.00000318,0.00000172,0.00000333,-0.00000125,0.00000126,-0.00000160,
 0.00000126,0.00000107,0.00000026,-0.00000273,-0.00000105,-0.00000047,0
 .00000048,-0.00000002,-0.00000376,0.00000088,-0.00000211,-0.00000216,-
 0.00000074,-0.00000163,0.00000132,-0.00000174,-0.00000052,-0.00000030,
 0.00000075,-0.00000120,-0.00000107,-0.00000026,-0.00000160,0.00000115,
 0.00000152,0.00000012,-0.00000119,0.00000049,0.00000288,-0.00000246,-0
 .00000226,0.00000025,0.00000113,0.00000243,-0.00000104,0.00000172,-0.0
 0000320\\\@


  THE LARGE PRINT GIVETH,
  AND THE SMALL PRINT TAKETH AWAY.

                     -- TOM WAITS
 Job cpu time:       0 days  7 hours  3 minutes 44.8 seconds.
 Elapsed time:       0 days  0 hours 53 minutes  4.1 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:40:14 2021.
